N-(4-acetamido-3-methyl-phenyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-acetamido-3-methyl-phenyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-acetamido-3-methyl-phenyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(4-acetamido-3-methylphenyl)-1-(4-bromophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-acetamido-3-methylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-acetamido-3-methyl-phenyl)-1-brosyl-nipecotamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br)NC(=O)C

InChI

InChI=1S/C21H24BrN3O4S/c1-14-12-18(7-10-20(14)23-15(2)26)24-21(27)16-4-3-11-25(13-16)30(28,29)19-8-5-17(22)6-9-19/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,23,26)(H,24,27)