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

Systemtic Name: 6-(4-methylphenyl)sulfonyl-4,5-dihydro-1H-pyrazolo[4,3-d][1]benzazepine Openeye Name: 6-(p-tolylsulfonyl)-4,5-dihydro-1H-pyrazolo[4,3-d][1]benzazepine CAS Name: 6-(4-methylphenyl)sulfonyl-4,5-dihydro-1H-pyrazolo[4,3-d][1]benzazepine IUPAC Name: 6-(4-methylphenyl)sulfonyl-4,5-dihydro-1H-pyrazolo[4,3-d][1]benzazepine Traditional Name: 6-tosyl-4,5-dihydro-1H-pyrazolo[4,3-d][1]benzazepine Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2S/c1-13-6-8-15(9-7-13)24(22,23)21-11-10-14-12-19-20-18(14)16-4-2-3-5-17(16)21/h2-9,12H,10-11H2,1H3,(H,19,20)