(3R)-N-(3-bromophenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-(3-bromophenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-(3-bromophenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3R)-N-(3-bromophenyl)-1-(2-methoxy-5-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-(3-bromophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-(3-bromophenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-nipecotamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O4S/c1-14-8-9-18(27-2)19(11-14)28(25,26)23-10-4-5-15(13-23)20(24)22-17-7-3-6-16(21)12-17/h3,6-9,11-12,15H,4-5,10,13H2,1-2H3,(H,22,24)/t15-/m1/s1