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

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-[(2-iodanylphenyl)sulfonylamino]propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-(1H-indol-3-yl)-2-[(2-iodophenyl)sulfonylamino]propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-(1H-indol-3-yl)-2-[(2-iodophenyl)sulfonylamino]propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-[(2-iodophenyl)sulfonylamino]propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-(1H-indol-3-yl)-2-[(2-iodophenyl)sulfonylamino]propionamide Formula: C24H29IN6O3S MolecularWeight: 608.49493

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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=CC=C4I

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4I

InChI

InChI=1S/C24H29IN6O3S/c25-19-8-2-4-10-22(19)35(33,34)30-21(12-17-14-28-20-9-3-1-7-18(17)20)23(32)29-13-16-6-5-11-31(15-16)24(26)27/h1-4,7-10,14,16,21,28,30H,5-6,11-13,15H2,(H3,26,27)(H,29,32)