2-(4-bromophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)-5-morpholinosulfonyl-benzamide CAS Name: 2-[(4-bromophenyl)thio]-N-(2,3-dimethylcyclohexyl)-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-[(4-bromophenyl)thio]-N-(2,3-dimethylcyclohexyl)-5-morpholinosulfonyl-benzamide Formula: C25H31BrN2O4S2 MolecularWeight: 567.55864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)SC4=CC=C(C=C4)Br

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)SC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H31BrN2O4S2/c1-17-4-3-5-23(18(17)2)27-25(29)22-16-21(34(30,31)28-12-14-32-15-13-28)10-11-24(22)33-20-8-6-19(26)7-9-20/h6-11,16-18,23H,3-5,12-15H2,1-2H3,(H,27,29)