N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C21H22ClF3N2O4S MolecularWeight: 490.92359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H22ClF3N2O4S/c1-13-10-18(19(31-2)12-17(13)22)26-20(28)14-6-8-27(9-7-14)32(29,30)16-5-3-4-15(11-16)21(23,24)25/h3-5,10-12,14H,6-9H2,1-2H3,(H,26,28)