N-(2-bromanyl-4-methyl-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3S/c1-14-4-7-20(19(22)12-14)23-21(25)17-8-10-24(11-9-17)28(26,27)18-6-5-15(2)16(3)13-18/h4-7,12-13,17H,8-11H2,1-3H3,(H,23,25)