N-(4-bromanyl-3-methyl-phenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(4-bromo-3-methyl-phenyl)piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-(4-bromo-3-methyl-phenyl)isonipecotamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-15-13-18(7-8-19(15)21)22-20(24)17-9-11-23(12-10-17)27(25,26)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,22,24)