N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-(1H-indol-3-yl)-2-(2-naphthylsulfonylamino)propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-(1H-indol-3-yl)-2-(2-naphthalenylsulfonylamino)propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-(1H-indol-3-yl)-2-(2-naphthylsulfonylamino)propionamide Formula: C28H32N6O3S MolecularWeight: 532.65708

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H32N6O3S/c29-28(30)34-13-5-6-19(18-34)16-32-27(35)26(15-22-17-31-25-10-4-3-9-24(22)25)33-38(36,37)23-12-11-20-7-1-2-8-21(20)14-23/h1-4,7-12,14,17,19,26,31,33H,5-6,13,15-16,18H2,(H3,29,30)(H,32,35)