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

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propionamide Formula: C30H34N6O3S MolecularWeight: 558.69436

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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)C5=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)C5=CC=CC=C5

InChI

InChI=1S/C30H34N6O3S/c31-30(32)36-16-6-7-21(20-36)18-34-29(37)28(17-24-19-33-27-11-5-4-10-26(24)27)35-40(38,39)25-14-12-23(13-15-25)22-8-2-1-3-9-22/h1-5,8-15,19,21,28,33,35H,6-7,16-18,20H2,(H3,31,32)(H,34,37)