[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C25H31ClN2O7S MolecularWeight: 539.04084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C25H31ClN2O7S/c1-18(2)10-15-34-22-9-4-19(16-23(22)33-3)25(30)35-17-24(29)27-11-13-28(14-12-27)36(31,32)21-7-5-20(26)6-8-21/h4-9,16,18H,10-15,17H2,1-3H3