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

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-(naphthalen-1-ylsulfonylamino)propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-(1H-indol-3-yl)-2-(1-naphthylsulfonylamino)propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-(1H-indol-3-yl)-2-(1-naphthalenylsulfonylamino)propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-(naphthalen-1-ylsulfonylamino)propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-(1H-indol-3-yl)-2-(1-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=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

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