[(3S)-1-(4-methylphenyl)sulfonyl-6-(1-oxidanylcyclobutyl)-3,4-dihydro-2H-pyridin-3-yl] 4-nitrobenzoate

Systemtic Name: [(3S)-1-(4-methylphenyl)sulfonyl-6-(1-oxidanylcyclobutyl)-3,4-dihydro-2H-pyridin-3-yl] 4-nitrobenzoate Openeye Name: [(3S)-6-(1-hydroxycyclobutyl)-1-(p-tolylsulfonyl)-3,4-dihydro-2H-pyridin-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3S)-6-(1-hydroxycyclobutyl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-3-yl] ester IUPAC Name: [(3S)-6-(1-hydroxycyclobutyl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3S)-6-(1-hydroxycyclobutyl)-1-tosyl-3,4-dihydro-2H-pyridin-3-yl] ester Formula: C23H24N2O7S MolecularWeight: 472.51086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC=C2C3(CCC3)O)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](CC=C2C3(CCC3)O)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O7S/c1-16-3-10-20(11-4-16)33(30,31)24-15-19(9-12-21(24)23(27)13-2-14-23)32-22(26)17-5-7-18(8-6-17)25(28)29/h3-8,10-12,19,27H,2,9,13-15H2,1H3/t19-/m0/s1