N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-[(4-phenylmethoxyphenyl)sulfonylamino]propanamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-[(4-phenylmethoxyphenyl)sulfonylamino]propanamide Openeye Name: 2-[(4-benzyloxyphenyl)sulfonylamino]-N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-(1H-indol-3-yl)propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-(1H-indol-3-yl)-2-[(4-phenylmethoxyphenyl)sulfonylamino]propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-[(4-phenylmethoxyphenyl)sulfonylamino]propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-2-[(4-benzoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)propionamide Formula: C31H36N6O4S MolecularWeight: 588.72034

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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=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H36N6O4S/c32-31(33)37-16-6-9-23(20-37)18-35-30(38)29(17-24-19-34-28-11-5-4-10-27(24)28)36-42(39,40)26-14-12-25(13-15-26)41-21-22-7-2-1-3-8-22/h1-5,7-8,10-15,19,23,29,34,36H,6,9,16-18,20-21H2,(H3,32,33)(H,35,38)