[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C27H27ClN2O7S MolecularWeight: 559.03048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H27ClN2O7S/c1-35-20-8-11-26(36-2)23(16-20)25(31)18-37-27(32)22-17-21(9-10-24(22)28)38(33,34)30-14-12-29(13-15-30)19-6-4-3-5-7-19/h3-11,16-17H,12-15,18H2,1-2H3