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

Systemtic Name: phenyl 4-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazine-1-carboxylate Openeye Name: phenyl 4-[3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperazine-1-carboxylic acid phenyl ester Formula: C31H31N5O5S MolecularWeight: 585.67334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C31H31N5O5S/c32-29(33)25-10-6-7-22(19-25)20-28(34-42(39,40)27-14-13-23-8-4-5-9-24(23)21-27)30(37)35-15-17-36(18-16-35)31(38)41-26-11-2-1-3-12-26/h1-14,19,21,28,34H,15-18,20H2,(H3,32,33)