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

Systemtic Name: 2-[(4-carbamimidoylphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]carbonyl-amino]ethanoic acid Openeye Name: 2-(4-carbamimidoyl-N-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]anilino)acetic acid CAS Name: 2-(4-carbamimidoyl-N-[oxo-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]methyl]anilino)acetic acid IUPAC Name: 2-(4-carbamimidoyl-N-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]anilino)acetic acid Traditional Name: 2-(4-amidino-N-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]anilino)acetic acid Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N(CC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N(CC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H29N5O5S/c1-2-3-17-4-10-20(11-5-17)34(32,33)27-14-12-26(13-15-27)23(31)28(16-21(29)30)19-8-6-18(7-9-19)22(24)25/h4-11H,2-3,12-16H2,1H3,(H3,24,25)(H,29,30)