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

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)sulfonylamino]propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)sulfonylamino]propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)sulfonylamino]propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)sulfonylamino]propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-(1H-indol-3-yl)-2-(nosylamino)propionamide Formula: C24H29N7O5S MolecularWeight: 527.59596

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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)[N+](=O)[O-]

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N7O5S/c25-24(26)30-11-3-4-16(15-30)13-28-23(32)22(12-17-14-27-21-6-2-1-5-20(17)21)29-37(35,36)19-9-7-18(8-10-19)31(33)34/h1-2,5-10,14,16,22,27,29H,3-4,11-13,15H2,(H3,25,26)(H,28,32)