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

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-[(4-phenylmethoxyphenyl)sulfonylamino]-1H-indol-3-yl]propanamide Openeye Name: 3-[2-[(4-benzyloxyphenyl)sulfonylamino]-1H-indol-3-yl]-N-[(1-carbamimidoyl-3-piperidyl)methyl]propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-[2-[(4-phenylmethoxyphenyl)sulfonylamino]-1H-indol-3-yl]propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-[(4-phenylmethoxyphenyl)sulfonylamino]-1H-indol-3-yl]propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-[2-[(4-benzoxyphenyl)sulfonylamino]-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)CCC2=C(NC3=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)CCC2=C(NC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

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