2-[(4aS,9aS)-9-(4-methylphenyl)sulfonyl-2,9a-dihydro-1H-carbazol-4a-yl]ethanenitrile

Systemtic Name: 2-[(4aS,9aS)-9-(4-methylphenyl)sulfonyl-2,9a-dihydro-1H-carbazol-4a-yl]ethanenitrile Openeye Name: 2-[(4aS,9aS)-9-(p-tolylsulfonyl)-2,9a-dihydro-1H-carbazol-4a-yl]acetonitrile CAS Name: 2-[(4aS,9aS)-9-(4-methylphenyl)sulfonyl-2,9a-dihydro-1H-carbazol-4a-yl]acetonitrile IUPAC Name: 2-[(4aS,9aS)-9-(4-methylphenyl)sulfonyl-2,9a-dihydro-1H-carbazol-4a-yl]acetonitrile Traditional Name: 2-[(4aS,9aS)-9-tosyl-2,9a-dihydro-1H-carbazol-4a-yl]acetonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3CCC=CC3(C4=CC=CC=C42)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3CCC=C[C@]3(C4=CC=CC=C42)CC#N

InChI

InChI=1S/C21H20N2O2S/c1-16-9-11-17(12-10-16)26(24,25)23-19-7-3-2-6-18(19)21(14-15-22)13-5-4-8-20(21)23/h2-3,5-7,9-13,20H,4,8,14H2,1H3/t20-,21+/m0/s1