N-[(2S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1S)-1-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-methyl-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-1-[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-3-methyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1S)-1-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-methyl-propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3N2)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3N2)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H30N4O5S/c1-16(2)23(28-35(31,32)18-7-8-21-22(15-18)34-14-13-33-21)25(30)29-11-9-17(10-12-29)24-26-19-5-3-4-6-20(19)27-24/h3-8,15-17,23,28H,9-14H2,1-2H3,(H,26,27)/t23-/m0/s1