(4S,4aR,7aS)-7a-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridine-1,4-diol

Systemtic Name: (4S,4aR,7aS)-7a-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridine-1,4-diol Openeye Name: (4S,4aR,7aS)-7a-(3,4-dimethoxyphenyl)-2-(p-tolylsulfonyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridine-1,4-diol CAS Name: (4S,4aR,7aS)-7a-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridine-1,4-diol IUPAC Name: (4S,4aR,7aS)-7a-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridine-1,4-diol Traditional Name: (4S,4aR,7aS)-7a-(3,4-dimethoxyphenyl)-2-tosyl-3,4,4a,5,6,7-hexahydro-1H-2-pyrindine-1,4-diol Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C3CCCC3(C2O)C4=CC(=C(C=C4)OC)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]([C@@H]3CCC[C@@]3(C2O)C4=CC(=C(C=C4)OC)OC)O

InChI

InChI=1S/C23H29NO6S/c1-15-6-9-17(10-7-15)31(27,28)24-14-19(25)18-5-4-12-23(18,22(24)26)16-8-11-20(29-2)21(13-16)30-3/h6-11,13,18-19,22,25-26H,4-5,12,14H2,1-3H3/t18-,19+,22?,23+/m0/s1