(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H25ClN2O4S/c1-15(2)20-13-21(24)16(3)12-22(20)30-23(27)18-8-10-26(11-9-18)31(28,29)19-6-4-17(14-25)5-7-19/h4-7,12-13,15,18H,8-11H2,1-3H3