N-(4,5-dimethoxy-2-methyl-phenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4,5-dimethoxy-2-methyl-phenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4,5-dimethoxy-2-methyl-phenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4,5-dimethoxy-2-methylphenyl)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4,5-dimethoxy-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4,5-dimethoxy-2-methyl-phenyl)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C21H25FN2O5S/c1-14-12-19(28-2)20(29-3)13-18(14)23-21(25)15-8-10-24(11-9-15)30(26,27)17-6-4-16(22)5-7-17/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,25)