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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C)Br)C

InChI

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