2-[8-(hydroxymethyl)-4a,8-dimethyl-2-[(4-methylphenyl)sulfonylamino]-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(4-methyl-1-oxidanyl-pentan-2-yl)ethanamide

Systemtic Name: 2-[8-(hydroxymethyl)-4a,8-dimethyl-2-[(4-methylphenyl)sulfonylamino]-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(4-methyl-1-oxidanyl-pentan-2-yl)ethanamide Openeye Name: 2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(p-tolylsulfonylamino)-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-[1-(hydroxymethyl)-3-methyl-butyl]acetamide CAS Name: 2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(1-hydroxy-4-methylpentan-2-yl)acetamide IUPAC Name: 2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(1-hydroxy-4-methylpentan-2-yl)acetamide Traditional Name: 2-[7-hydroxy-4a,8-dimethyl-8-methylol-2-(tosylamino)-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(3-methyl-1-methylol-butyl)acetamide Formula: C29H43N3O6S2 MolecularWeight: 593.79822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)CC4C(C3CC(=O)NC(CC(C)C)CO)(CCC(C4(C)CO)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)CC4C(C3CC(=O)NC(CC(C)C)CO)(CCC(C4(C)CO)O)C

InChI

InChI=1S/C29H43N3O6S2/c1-17(2)12-19(15-33)30-25(36)13-21-26-22(14-23-28(21,4)11-10-24(35)29(23,5)16-34)39-27(31-26)32-40(37,38)20-8-6-18(3)7-9-20/h6-9,17,19,21,23-24,33-35H,10-16H2,1-5H3,(H,30,36)(H,31,32)