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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-(4-bromo-3-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-(4-bromo-3-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-(4-bromo-3-methyl-phenyl)isonipecotamide Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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