1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide Openeye Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide CAS Name: 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(3-fluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide Traditional Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(3-fluorophenyl)isonipecotamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)F)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H25FN2O4S/c1-3-28-20-8-7-19(13-15(20)2)29(26,27)24-11-9-16(10-12-24)21(25)23-18-6-4-5-17(22)14-18/h4-8,13-14,16H,3,9-12H2,1-2H3,(H,23,25)