N-(3-bromophenyl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-bromophenyl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-bromophenyl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-bromophenyl)-1-(4-methoxy-3-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-bromophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-bromophenyl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-isonipecotamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O4S/c1-14-12-18(6-7-19(14)27-2)28(25,26)23-10-8-15(9-11-23)20(24)22-17-5-3-4-16(21)13-17/h3-7,12-13,15H,8-11H2,1-2H3,(H,22,24)