N-(3,3-dimethyl-1-phenyl-butyl)-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3,3-dimethyl-1-phenyl-butyl)-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3,3-dimethyl-1-phenyl-butyl)-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3,3-dimethyl-1-phenylbutyl)-1-(2-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,3-dimethyl-1-phenylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3,3-dimethyl-1-phenyl-butyl)-1-(2-fluorophenyl)sulfonyl-isonipecotamide Formula: C24H31FN2O3S MolecularWeight: 446.577943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C24H31FN2O3S/c1-24(2,3)17-21(18-9-5-4-6-10-18)26-23(28)19-13-15-27(16-14-19)31(29,30)22-12-8-7-11-20(22)25/h4-12,19,21H,13-17H2,1-3H3,(H,26,28)