N-(2-bromophenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-bromophenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-bromophenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-bromophenyl)-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-bromophenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-bromophenyl)-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3Br)C

InChI

InChI=1S/C20H23BrN2O3S/c1-14-7-8-17(13-15(14)2)27(25,26)23-11-9-16(10-12-23)20(24)22-19-6-4-3-5-18(19)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)