3-[(2S)-2-azanyl-2-(4-chlorophenyl)ethoxy]-4-bromanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-5-oxidanyl-benzamide

Systemtic Name: 3-[(2S)-2-azanyl-2-(4-chlorophenyl)ethoxy]-4-bromanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-5-oxidanyl-benzamide Openeye Name: 3-[(2S)-2-amino-2-(4-chlorophenyl)ethoxy]-4-bromo-N-[(1-carbamimidoyl-4-piperidyl)methyl]-5-hydroxy-benzamide CAS Name: 3-[(2S)-2-amino-2-(4-chlorophenyl)ethoxy]-4-bromo-N-[(1-carbamimidoyl-4-piperidinyl)methyl]-5-hydroxybenzamide IUPAC Name: 3-[(2S)-2-amino-2-(4-chlorophenyl)ethoxy]-4-bromo-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-5-hydroxybenzamide Traditional Name: N-[(1-amidino-4-piperidyl)methyl]-3-[(2S)-2-amino-2-(4-chlorophenyl)ethoxy]-4-bromo-5-hydroxy-benzamide Formula: C22H27BrClN5O3 MolecularWeight: 524.83848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C2=CC(=C(C(=C2)OCC(C3=CC=C(C=C3)Cl)N)Br)O)C(=N)N

Isomeric SMILES

C1CN(CCC1CNC(=O)C2=CC(=C(C(=C2)OC[C@H](C3=CC=C(C=C3)Cl)N)Br)O)C(=N)N

InChI

InChI=1S/C22H27BrClN5O3/c23-20-18(30)9-15(21(31)28-11-13-5-7-29(8-6-13)22(26)27)10-19(20)32-12-17(25)14-1-3-16(24)4-2-14/h1-4,9-10,13,17,30H,5-8,11-12,25H2,(H3,26,27)(H,28,31)/t17-/m1/s1