[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate

Systemtic Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=C(C=C3)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=C(C=C3)C(C)C)C

InChI

InChI=1S/C24H30N2O5S/c1-17(2)20-6-8-21(9-7-20)24(28)31-16-23(27)25-11-13-26(14-12-25)32(29,30)22-10-5-18(3)15-19(22)4/h5-10,15,17H,11-14,16H2,1-4H3