N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-[(6-oxidanylnaphthalen-2-yl)sulfonylamino]propanamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-[(6-oxidanylnaphthalen-2-yl)sulfonylamino]propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-2-[(6-hydroxy-2-naphthyl)sulfonylamino]-3-(1H-indol-3-yl)propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-2-[(6-hydroxy-2-naphthalenyl)sulfonylamino]-3-(1H-indol-3-yl)propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-[(6-hydroxynaphthalen-2-yl)sulfonylamino]-3-(1H-indol-3-yl)propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-2-[(6-hydroxy-2-naphthyl)sulfonylamino]-3-(1H-indol-3-yl)propionamide Formula: C28H32N6O4S MolecularWeight: 548.65648

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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=C(C=C4)C=C(C=C5)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)O

InChI

InChI=1S/C28H32N6O4S/c29-28(30)34-11-3-4-18(17-34)15-32-27(36)26(14-21-16-31-25-6-2-1-5-24(21)25)33-39(37,38)23-10-8-19-12-22(35)9-7-20(19)13-23/h1-2,5-10,12-13,16,18,26,31,33,35H,3-4,11,14-15,17H2,(H3,29,30)(H,32,36)