2-[1,3-benzothiazol-2-yl-(4-morpholin-4-ylsulfonylphenyl)amino]-N-(2,6-dimethylcyclohexyl)ethanamide

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(4-morpholin-4-ylsulfonylphenyl)amino]-N-(2,6-dimethylcyclohexyl)ethanamide Openeye Name: 2-[N-(1,3-benzothiazol-2-yl)-4-morpholinosulfonyl-anilino]-N-(2,6-dimethylcyclohexyl)acetamide CAS Name: 2-[N-(1,3-benzothiazol-2-yl)-4-(4-morpholinylsulfonyl)anilino]-N-(2,6-dimethylcyclohexyl)acetamide IUPAC Name: 2-[N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylanilino]-N-(2,6-dimethylcyclohexyl)acetamide Traditional Name: 2-[N-(1,3-benzothiazol-2-yl)-4-morpholinosulfonyl-anilino]-N-(2,6-dimethylcyclohexyl)acetamide Formula: C27H34N4O4S2 MolecularWeight: 542.71326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1NC(=O)CN(C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1CCCC(C1NC(=O)CN(C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C27H34N4O4S2/c1-19-6-5-7-20(2)26(19)29-25(32)18-31(27-28-23-8-3-4-9-24(23)36-27)21-10-12-22(13-11-21)37(33,34)30-14-16-35-17-15-30/h3-4,8-13,19-20,26H,5-7,14-18H2,1-2H3,(H,29,32)