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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-(2-bromo-4-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-(2-bromo-4-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-(2-bromo-4-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-(2-bromo-4-methyl-phenyl)isonipecotamide Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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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(=O)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O4S/c1-14-3-8-20(19(22)13-14)23-21(26)17-9-11-24(12-10-17)29(27,28)18-6-4-16(5-7-18)15(2)25/h3-8,13,17H,9-12H2,1-2H3,(H,23,26)