N'-[(2S)-3-[4-azanyl-3,5-bis(bromanyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-N-methylsulfonyl-4-(2-oxidanylidene-4-phenyl-3H-benzimidazol-1-yl)piperidine-1-carboximidamide

Systemtic Name: N'-[(2S)-3-[4-azanyl-3,5-bis(bromanyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-N-methylsulfonyl-4-(2-oxidanylidene-4-phenyl-3H-benzimidazol-1-yl)piperidine-1-carboximidamide Openeye Name: N'-[(1S)-1-[(4-amino-3,5-dibromo-phenyl)methyl]-2-[4-(1-methyl-4-piperidyl)-1-piperidyl]-2-oxo-ethyl]-N-methylsulfonyl-4-(2-oxo-4-phenyl-3H-benzimidazol-1-yl)piperidine-1-carboxamidine CAS Name: N'-[(2S)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methyl-4-piperidinyl)-1-piperidinyl]-1-oxopropan-2-yl]-N-methylsulfonyl-4-(2-oxo-4-phenyl-3H-benzimidazol-1-yl)-1-piperidinecarboximidamide IUPAC Name: N'-[(2S)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-N-methylsulfonyl-4-(2-oxo-4-phenyl-3H-benzimidazol-1-yl)piperidine-1-carboximidamide Traditional Name: N'-[(1S)-1-(4-amino-3,5-dibromo-benzyl)-2-keto-2-[4-(1-methyl-4-piperidyl)piperidino]ethyl]-4-(2-keto-4-phenyl-3H-benzimidazol-1-yl)-N-mesyl-piperidine-1-carboxamidine Formula: C40H50Br2N8O4S MolecularWeight: 898.7492

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Br)N)Br)N=C(NS(=O)(=O)C)N4CCC(CC4)N5C6=CC=CC(=C6NC5=O)C7=CC=CC=C7

Isomeric SMILES

CN1CCC(CC1)C2CCN(CC2)C(=O)[C@H](CC3=CC(=C(C(=C3)Br)N)Br)N=C(NS(=O)(=O)C)N4CCC(CC4)N5C6=CC=CC(=C6NC5=O)C7=CC=CC=C7

InChI

InChI=1S/C40H50Br2N8O4S/c1-47-17-11-27(12-18-47)28-13-19-48(20-14-28)38(51)34(25-26-23-32(41)36(43)33(42)24-26)44-39(46-55(2,53)54)49-21-15-30(16-22-49)50-35-10-6-9-31(37(35)45-40(50)52)29-7-4-3-5-8-29/h3-10,23-24,27-28,30,34H,11-22,25,43H2,1-2H3,(H,44,46)(H,45,52)/t34-/m0/s1