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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 2-(4-bromophenyl)sulfanyl-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-N-(2-morpholinoethyl)benzamide CAS Name: 2-[(4-bromophenyl)thio]-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 2-[(4-bromophenyl)thio]-5-(3,5-dimethylpiperidino)sulfonyl-N-(2-morpholinoethyl)benzamide Formula: C26H34BrN3O4S2 MolecularWeight: 596.59986

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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)NCCN4CCOCC4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)NCCN4CCOCC4)C

InChI

InChI=1S/C26H34BrN3O4S2/c1-19-15-20(2)18-30(17-19)36(32,33)23-7-8-25(35-22-5-3-21(27)4-6-22)24(16-23)26(31)28-9-10-29-11-13-34-14-12-29/h3-8,16,19-20H,9-15,17-18H2,1-2H3,(H,28,31)