(Z)-3-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-3-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-3-methyl-4-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-4-oxo-but-2-enoic acid CAS Name: (Z)-3-methyl-4-[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-4-oxo-2-butenoic acid IUPAC Name: (Z)-3-methyl-4-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-3-methyl-4-[4-(4-methylpiperazino)sulfonylanilino]but-2-enoic acid Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

Isomeric SMILES

C/C(=C/C(=O)O)/C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

InChI

InChI=1S/C16H21N3O5S/c1-12(11-15(20)21)16(22)17-13-3-5-14(6-4-13)25(23,24)19-9-7-18(2)8-10-19/h3-6,11H,7-10H2,1-2H3,(H,17,22)(H,20,21)/b12-11-