2-(anthracen-2-ylsulfonylamino)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)propanamide hydrochloride

Systemtic Name: 2-(anthracen-2-ylsulfonylamino)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)propanamide hydrochloride Openeye Name: 2-(2-anthrylsulfonylamino)-N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-(1H-indol-3-yl)propanamide hydrochloride CAS Name: 2-(2-anthracenylsulfonylamino)-N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-(1H-indol-3-yl)propanamide hydrochloride IUPAC Name: 2-(anthracen-2-ylsulfonylamino)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)propanamide hydrochloride Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-2-(2-anthrylsulfonylamino)-3-(1H-indol-3-yl)propionamide hydrochloride Formula: C32H35ClN6O3S MolecularWeight: 619.1767

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC6=CC=CC=C6C=C5C=C4.Cl

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC6=CC=CC=C6C=C5C=C4.Cl

InChI

InChI=1S/C32H34N6O3S.ClH/c33-32(34)38-13-5-6-21(20-38)18-36-31(39)30(17-26-19-35-29-10-4-3-9-28(26)29)37-42(40,41)27-12-11-24-14-22-7-1-2-8-23(22)15-25(24)16-27;/h1-4,7-12,14-16,19,21,30,35,37H,5-6,13,17-18,20H2,(H3,33,34)(H,36,39);1H