8,9-dimethoxy-6-(4-methylphenyl)sulfonyl-4,5-dihydro-1H-pyrazolo[4,3-d][1]benzazepine

Systemtic Name: 8,9-dimethoxy-6-(4-methylphenyl)sulfonyl-4,5-dihydro-1H-pyrazolo[4,3-d][1]benzazepine Openeye Name: 8,9-dimethoxy-6-(p-tolylsulfonyl)-4,5-dihydro-1H-pyrazolo[4,3-d][1]benzazepine CAS Name: 8,9-dimethoxy-6-(4-methylphenyl)sulfonyl-4,5-dihydro-1H-pyrazolo[4,3-d][1]benzazepine IUPAC Name: 8,9-dimethoxy-6-(4-methylphenyl)sulfonyl-4,5-dihydro-1H-pyrazolo[4,3-d][1]benzazepine Traditional Name: 8,9-dimethoxy-6-tosyl-4,5-dihydro-1H-pyrazolo[4,3-d][1]benzazepine Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C4=CC(=C(C=C42)OC)OC)NN=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C4=CC(=C(C=C42)OC)OC)NN=C3

InChI

InChI=1S/C20H21N3O4S/c1-13-4-6-15(7-5-13)28(24,25)23-9-8-14-12-21-22-20(14)16-10-18(26-2)19(27-3)11-17(16)23/h4-7,10-12H,8-9H2,1-3H3,(H,21,22)