[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C28H29ClN2O8S MolecularWeight: 589.05646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H29ClN2O8S/c1-36-25-15-19(16-26(37-2)27(25)38-3)24(32)18-39-28(33)22-17-21(9-10-23(22)29)40(34,35)31-13-11-30(12-14-31)20-7-5-4-6-8-20/h4-10,15-17H,11-14,18H2,1-3H3