(3S)-N-(4-bromanyl-2-methyl-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-2-methyl-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2-methyl-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-methylphenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-2-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2-methyl-phenyl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23BrN2O4S/c1-14-12-16(21)5-10-19(14)22-20(24)15-4-3-11-23(13-15)28(25,26)18-8-6-17(27-2)7-9-18/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,22,24)/t15-/m0/s1