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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenethyl-benzamide Openeye Name: 2-(4-bromophenyl)sulfanyl-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-N-phenethyl-benzamide CAS Name: 2-[(4-bromophenyl)thio]-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-N-phenethylbenzamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenethylbenzamide Traditional Name: 2-[(4-bromophenyl)thio]-5-(3,5-dimethylpiperidino)sulfonyl-N-phenethyl-benzamide Formula: C28H31BrN2O3S2 MolecularWeight: 587.59134

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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)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C28H31BrN2O3S2/c1-20-16-21(2)19-31(18-20)36(33,34)25-12-13-27(35-24-10-8-23(29)9-11-24)26(17-25)28(32)30-15-14-22-6-4-3-5-7-22/h3-13,17,20-21H,14-16,18-19H2,1-2H3,(H,30,32)