N-[4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]methanesulfonamide

Systemtic Name: N-[4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]methanesulfonamide Openeye Name: N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]methanesulfonamide CAS Name: N-[4-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]methanesulfonamide IUPAC Name: N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]methanesulfonamide Traditional Name: N-[4-[2-(4-acetylpiperazino)-2-keto-ethyl]-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]methanesulfonamide Formula: C23H36N4O6S2 MolecularWeight: 528.68514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)NS(=O)(=O)C

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)NS(=O)(=O)C

InChI

InChI=1S/C23H36N4O6S2/c1-14(29)26-7-9-27(10-8-26)19(31)11-15-20-16(34-21(24-20)25-35(4,32)33)12-17-22(15,2)6-5-18(30)23(17,3)13-28/h15,17-18,28,30H,5-13H2,1-4H3,(H,24,25)