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

Systemtic Name: (3S)-N-(4-bromanyl-2-methyl-phenyl)-1-(4-chlorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2-methyl-phenyl)-1-(4-chlorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2-methyl-phenyl)-1-(4-chlorophenyl)sulfonyl-nipecotamide Formula: C19H20BrClN2O3S MolecularWeight: 471.7957

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrClN2O3S/c1-13-11-15(20)4-9-18(13)22-19(24)14-3-2-10-23(12-14)27(25,26)17-7-5-16(21)6-8-17/h4-9,11,14H,2-3,10,12H2,1H3,(H,22,24)/t14-/m0/s1