pyridin-2-yl 2-(3-chlorophenyl)carbonyl-5-cyclopropyl-4-methyl-benzenesulfonate

Systemtic Name: pyridin-2-yl 2-(3-chlorophenyl)carbonyl-5-cyclopropyl-4-methyl-benzenesulfonate Openeye Name: 2-pyridyl 2-(3-chlorobenzoyl)-5-cyclopropyl-4-methyl-benzenesulfonate CAS Name: 2-[(3-chlorophenyl)-oxomethyl]-5-cyclopropyl-4-methylbenzenesulfonic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl 2-(3-chlorobenzoyl)-5-cyclopropyl-4-methylbenzenesulfonate Traditional Name: 2-(3-chlorobenzoyl)-5-cyclopropyl-4-methyl-benzenesulfonic acid 2-pyridyl ester Formula: C22H18ClNO4S MolecularWeight: 427.90062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)C2=CC(=CC=C2)Cl)S(=O)(=O)OC3=CC=CC=N3)C4CC4

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)C2=CC(=CC=C2)Cl)S(=O)(=O)OC3=CC=CC=N3)C4CC4

InChI

InChI=1S/C22H18ClNO4S/c1-14-11-19(22(25)16-5-4-6-17(23)12-16)20(13-18(14)15-8-9-15)29(26,27)28-21-7-2-3-10-24-21/h2-7,10-13,15H,8-9H2,1H3