(3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-3,4,5,6,7,7a-hexahydro-2H-indole

Systemtic Name: (3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-3,4,5,6,7,7a-hexahydro-2H-indole Openeye Name: (3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1-(p-tolylsulfonyl)-3,4,5,6,7,7a-hexahydro-2H-indole CAS Name: (3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-3,4,5,6,7,7a-hexahydro-2H-indole IUPAC Name: (3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-3,4,5,6,7,7a-hexahydro-2H-indole Traditional Name: (3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1-tosyl-3,4,5,6,7,7a-hexahydro-2H-indole Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(C2CCCC3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@]3([C@@H]2CCCC3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H29NO4S/c1-17-7-10-19(11-8-17)29(25,26)24-15-14-23(13-5-4-6-22(23)24)18-9-12-20(27-2)21(16-18)28-3/h7-12,16,22H,4-6,13-15H2,1-3H3/t22-,23-/m0/s1