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

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

Click to see the large picture

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=CC(=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=CC(=C4)[N+](=O)[O-]

InChI

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