2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-propan-2-yl-benzamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-propan-2-yl-benzamide Openeye Name: 2-(4-bromophenyl)sulfanyl-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-N-isopropyl-benzamide CAS Name: 2-[(4-bromophenyl)thio]-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-N-propan-2-ylbenzamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide Traditional Name: 2-[(4-bromophenyl)thio]-5-(3,5-dimethylpiperidino)sulfonyl-N-isopropyl-benzamide Formula: C23H29BrN2O3S2 MolecularWeight: 525.52196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)NC(C)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)NC(C)C)C

InChI

InChI=1S/C23H29BrN2O3S2/c1-15(2)25-23(27)21-12-20(31(28,29)26-13-16(3)11-17(4)14-26)9-10-22(21)30-19-7-5-18(24)6-8-19/h5-10,12,15-17H,11,13-14H2,1-4H3,(H,25,27)