[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-oxo-1,2-bis(p-tolyl)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [1,2-bis(4-methylphenyl)-2-oxoethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C29H30N2O6S MolecularWeight: 534.6233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C29H30N2O6S/c1-20-7-11-23(12-8-20)27(33)28(24-13-9-21(2)10-14-24)37-29(34)25-5-4-6-26(19-25)38(35,36)31-17-15-30(16-18-31)22(3)32/h4-14,19,28H,15-18H2,1-3H3