methyl 4-chloranyl-3-[4-(3-ethoxy-3-oxidanylidene-1-phenyl-propyl)piperidin-1-yl]sulfonyl-benzoate

Systemtic Name: methyl 4-chloranyl-3-[4-(3-ethoxy-3-oxidanylidene-1-phenyl-propyl)piperidin-1-yl]sulfonyl-benzoate Openeye Name: methyl 4-chloro-3-[[4-(3-ethoxy-3-oxo-1-phenyl-propyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[4-(3-ethoxy-3-oxo-1-phenylpropyl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[4-(3-ethoxy-3-oxo-1-phenylpropyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(3-ethoxy-3-keto-1-phenyl-propyl)piperidino]sulfonyl-benzoic acid methyl ester Formula: C24H28ClNO6S MolecularWeight: 494.00022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C24H28ClNO6S/c1-3-32-23(27)16-20(17-7-5-4-6-8-17)18-11-13-26(14-12-18)33(29,30)22-15-19(24(28)31-2)9-10-21(22)25/h4-10,15,18,20H,3,11-14,16H2,1-2H3