2-(4-carbamimidoylphenyl)-4-oxidanylidene-4-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]butanoic acid

Systemtic Name: 2-(4-carbamimidoylphenyl)-4-oxidanylidene-4-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]butanoic acid Openeye Name: 2-(4-carbamimidoylphenyl)-4-oxo-4-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]butanoic acid CAS Name: 2-(4-carbamimidoylphenyl)-4-oxo-4-[4-(4-phenylphenyl)sulfonyl-1-piperazinyl]butanoic acid IUPAC Name: 2-(4-carbamimidoylphenyl)-4-oxo-4-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]butanoic acid Traditional Name: 2-(4-amidinophenyl)-4-keto-4-[4-(4-phenylphenyl)sulfonylpiperazino]butyric acid Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC(C2=CC=C(C=C2)C(=N)N)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CC(C2=CC=C(C=C2)C(=N)N)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O5S/c28-26(29)22-8-6-21(7-9-22)24(27(33)34)18-25(32)30-14-16-31(17-15-30)37(35,36)23-12-10-20(11-13-23)19-4-2-1-3-5-19/h1-13,24H,14-18H2,(H3,28,29)(H,33,34)