N-(4-bromanyl-2-methyl-phenyl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4-bromo-2-methyl-phenyl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(4-bromo-2-methylphenyl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(4-bromo-2-methyl-phenyl)nipecotamide Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3S/c1-14-12-16(20)9-10-18(14)21-19(23)15-6-5-11-22(13-15)26(24,25)17-7-3-2-4-8-17/h2-4,7-10,12,15H,5-6,11,13H2,1H3,(H,21,23)