phenyl 1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylate

Systemtic Name: phenyl 1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylate Openeye Name: phenyl 1-[3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-4-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl 1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]isonipecotic acid phenyl ester Formula: C32H32N4O5S MolecularWeight: 584.68528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=CC=C2)C(=O)C(CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=CC=C2)C(=O)C(CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C32H32N4O5S/c33-30(34)26-10-6-7-22(19-26)20-29(35-42(39,40)28-14-13-23-8-4-5-9-25(23)21-28)31(37)36-17-15-24(16-18-36)32(38)41-27-11-2-1-3-12-27/h1-14,19,21,24,29,35H,15-18,20H2,(H3,33,34)