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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 2-(4-bromophenyl)sulfanyl-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-N-(2-pyridylmethyl)benzamide CAS Name: 2-[(4-bromophenyl)thio]-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 2-[(4-bromophenyl)thio]-5-(3,5-dimethylpiperidino)sulfonyl-N-(2-pyridylmethyl)benzamide Formula: C26H28BrN3O3S2 MolecularWeight: 574.55282

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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)NCC4=CC=CC=N4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)NCC4=CC=CC=N4)C

InChI

InChI=1S/C26H28BrN3O3S2/c1-18-13-19(2)17-30(16-18)35(32,33)23-10-11-25(34-22-8-6-20(27)7-9-22)24(14-23)26(31)29-15-21-5-3-4-12-28-21/h3-12,14,18-19H,13,15-17H2,1-2H3,(H,29,31)