(E)-4-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]-4-oxo-but-2-enoate CAS Name: (E)-4-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]but-2-enoate Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C15H19N3O5S/c1-17-8-10-18(11-9-17)24(22,23)13-4-2-12(3-5-13)16-14(19)6-7-15(20)21/h2-7H,8-11H2,1H3,(H,16,19)(H,20,21)/b7-6+