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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)OC

InChI

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