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

Systemtic Name: 2-(4-carbamimidoylphenyl)-4-oxidanylidene-4-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]butanoic acid Openeye Name: 2-(4-carbamimidoylphenyl)-4-oxo-4-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]butanoic acid CAS Name: 2-(4-carbamimidoylphenyl)-4-oxo-4-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]butanoic acid IUPAC Name: 2-(4-carbamimidoylphenyl)-4-oxo-4-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]butanoic acid Traditional Name: 2-(4-amidinophenyl)-4-keto-4-[4-(4-propylphenyl)sulfonylpiperazino]butyric acid Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O5S/c1-2-3-17-4-10-20(11-5-17)34(32,33)28-14-12-27(13-15-28)22(29)16-21(24(30)31)18-6-8-19(9-7-18)23(25)26/h4-11,21H,2-3,12-16H2,1H3,(H3,25,26)(H,30,31)