(Z)-4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethoxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-oxo-4-[2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethoxy]but-2-enoic acid CAS Name: (Z)-4-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethoxy]-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethoxy]-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-4-[2-(4-tosylpiperazino)ethoxy]but-2-enoic acid Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC(=O)/C=C\C(=O)O

InChI

InChI=1S/C17H22N2O6S/c1-14-2-4-15(5-3-14)26(23,24)19-10-8-18(9-11-19)12-13-25-17(22)7-6-16(20)21/h2-7H,8-13H2,1H3,(H,20,21)/b7-6-