2-[(3S,4S)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-3,4-dihydro-2H-quinolin-3-yl]ethanenitrile

Systemtic Name: 2-[(3S,4S)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-3,4-dihydro-2H-quinolin-3-yl]ethanenitrile Openeye Name: 2-[(3S,4S)-4-hydroxy-1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-3-yl]acetonitrile CAS Name: 2-[(3S,4S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]acetonitrile IUPAC Name: 2-[(3S,4S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]acetonitrile Traditional Name: 2-[(3S,4S)-4-hydroxy-1-tosyl-3,4-dihydro-2H-quinolin-3-yl]acetonitrile Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C3=CC=CC=C32)O)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]([C@@H](C3=CC=CC=C32)O)CC#N

InChI

InChI=1S/C18H18N2O3S/c1-13-6-8-15(9-7-13)24(22,23)20-12-14(10-11-19)18(21)16-4-2-3-5-17(16)20/h2-9,14,18,21H,10,12H2,1H3/t14-,18-/m0/s1