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

Systemtic Name: methyl 1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]isonipecotic acid methyl ester Formula: C27H30N4O5S MolecularWeight: 522.6159

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H30N4O5S/c1-36-27(33)20-11-13-31(14-12-20)26(32)24(16-18-5-4-8-22(15-18)25(28)29)30-37(34,35)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,30H,11-14,16H2,1H3,(H3,28,29)