2-[8-(hydroxymethyl)-4a,8-dimethyl-2-(methylsulfonylamino)-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[8-(hydroxymethyl)-4a,8-dimethyl-2-(methylsulfonylamino)-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[7-hydroxy-8-(hydroxymethyl)-2-(methanesulfonamido)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[7-hydroxy-8-(hydroxymethyl)-2-(methanesulfonamido)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[7-hydroxy-8-(hydroxymethyl)-2-(methanesulfonamido)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[7-hydroxy-2-(methanesulfonamido)-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(2-thenyl)acetamide Formula: C22H31N3O5S3 MolecularWeight: 513.69364

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC=CS4)N=C(S3)NS(=O)(=O)C)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC=CS4)N=C(S3)NS(=O)(=O)C)(C)CO)O

InChI

InChI=1S/C22H31N3O5S3/c1-21-7-6-17(27)22(2,12-26)16(21)10-15-19(24-20(32-15)25-33(3,29)30)14(21)9-18(28)23-11-13-5-4-8-31-13/h4-5,8,14,16-17,26-27H,6-7,9-12H2,1-3H3,(H,23,28)(H,24,25)