2-[(4-carbamimidoylphenyl)-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]carbonyl-amino]ethanoic acid Openeye Name: 2-(4-carbamimidoyl-N-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]anilino)acetic acid CAS Name: 2-(4-carbamimidoyl-N-[oxo-[4-(4-phenylphenyl)sulfonyl-1-piperazinyl]methyl]anilino)acetic acid IUPAC Name: 2-(4-carbamimidoyl-N-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]anilino)acetic acid Traditional Name: 2-(4-amidino-N-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]anilino)acetic acid Formula: C26H27N5O5S MolecularWeight: 521.58808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O5S/c27-25(28)21-6-10-22(11-7-21)31(18-24(32)33)26(34)29-14-16-30(17-15-29)37(35,36)23-12-8-20(9-13-23)19-4-2-1-3-5-19/h1-13H,14-18H2,(H3,27,28)(H,32,33)