(Z)-but-2-enedioate; [1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] benzoate

Systemtic Name: (Z)-but-2-enedioate; [1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] benzoate Openeye Name: (Z)-but-2-enedioate; [1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] benzoate CAS Name: benzoic acid [1-(4-methylsulfonylphenyl)-2-(4-phenyl-1-piperazinyl)ethyl] ester; (Z)-2-butenedioate IUPAC Name: (Z)-but-2-enedioate; [1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] benzoate Traditional Name: benzoic acid [1-(4-mesylphenyl)-2-(4-phenylpiperazino)ethyl] ester maleate Formula: C30H30N2O8S-2 MolecularWeight: 578.6328

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(CN2CCN(CC2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(CN2CCN(CC2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C26H28N2O4S.C4H4O4/c1-33(30,31)24-14-12-21(13-15-24)25(32-26(29)22-8-4-2-5-9-22)20-27-16-18-28(19-17-27)23-10-6-3-7-11-23;5-3(6)1-2-4(7)8/h2-15,25H,16-20H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-