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-prop-2-ynyl-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-prop-2-ynyl-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-prop-2-ynyl-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-prop-2-ynylacetamide 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-prop-2-ynylacetamide 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-propargyl-acetamide Formula: C26H33N3O5S2 MolecularWeight: 531.68732

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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)NCC#C)(CCC(C4(C)CO)O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O5S2/c1-5-12-27-22(32)13-18-23-19(14-20-25(18,3)11-10-21(31)26(20,4)15-30)35-24(28-23)29-36(33,34)17-8-6-16(2)7-9-17/h1,6-9,18,20-21,30-31H,10-15H2,2-4H3,(H,27,32)(H,28,29)