6-(2-methylsulfonylpropan-2-yl)-8-[3-[(4-nitrophenyl)sulfanylmethyl]phenyl]quinoline

Systemtic Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-[(4-nitrophenyl)sulfanylmethyl]phenyl]quinoline Openeye Name: 6-(1-methyl-1-methylsulfonyl-ethyl)-8-[3-[(4-nitrophenyl)sulfanylmethyl]phenyl]quinoline CAS Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-[[(4-nitrophenyl)thio]methyl]phenyl]quinoline IUPAC Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-[(4-nitrophenyl)sulfanylmethyl]phenyl]quinoline Traditional Name: 6-(1-mesyl-1-methyl-ethyl)-8-[3-[[(4-nitrophenyl)thio]methyl]phenyl]quinoline Formula: C26H24N2O4S2 MolecularWeight: 492.60976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C26H24N2O4S2/c1-26(2,34(3,31)32)21-15-20-8-5-13-27-25(20)24(16-21)19-7-4-6-18(14-19)17-33-23-11-9-22(10-12-23)28(29)30/h4-16H,17H2,1-3H3