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

Systemtic Name: 2-(4-carbamimidoylphenyl)-4-oxidanylidene-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butanoic acid Openeye Name: 2-(4-carbamimidoylphenyl)-4-oxo-4-[4-[(E)-styryl]sulfonylpiperazin-1-yl]butanoic acid CAS Name: 2-(4-carbamimidoylphenyl)-4-oxo-4-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]butanoic acid IUPAC Name: 2-(4-carbamimidoylphenyl)-4-oxo-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butanoic acid Traditional Name: 2-(4-amidinophenyl)-4-keto-4-[4-[(E)-styryl]sulfonylpiperazino]butyric acid Formula: C23H26N4O5S MolecularWeight: 470.54134

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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)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5S/c24-22(25)19-8-6-18(7-9-19)20(23(29)30)16-21(28)26-11-13-27(14-12-26)33(31,32)15-10-17-4-2-1-3-5-17/h1-10,15,20H,11-14,16H2,(H3,24,25)(H,29,30)/b15-10+