(3S)-1-methyl-3-(4-methylphenyl)sulfonyl-6-nitro-spiro[4H-quinoline-2,1'-cyclohexane]-3-carbonitrile

Systemtic Name: (3S)-1-methyl-3-(4-methylphenyl)sulfonyl-6-nitro-spiro[4H-quinoline-2,1'-cyclohexane]-3-carbonitrile Openeye Name: (3S)-1-methyl-6-nitro-3-(p-tolylsulfonyl)spiro[4H-quinoline-2,1'-cyclohexane]-3-carbonitrile CAS Name: (3S)-1-methyl-3-(4-methylphenyl)sulfonyl-6-nitro-3-spiro[4H-quinoline-2,1'-cyclohexane]carbonitrile IUPAC Name: (3S)-1-methyl-3-(4-methylphenyl)sulfonyl-6-nitrospiro[4H-quinoline-2,1'-cyclohexane]-3-carbonitrile Traditional Name: (3S)-1-methyl-6-nitro-3-tosyl-spiro[4H-quinoline-2,1'-cyclohexane]-3-carbonitrile Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N(C24CCCCC4)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@]2(CC3=C(C=CC(=C3)[N+](=O)[O-])N(C24CCCCC4)C)C#N

InChI

InChI=1S/C23H25N3O4S/c1-17-6-9-20(10-7-17)31(29,30)23(16-24)15-18-14-19(26(27)28)8-11-21(18)25(2)22(23)12-4-3-5-13-22/h6-11,14H,3-5,12-13,15H2,1-2H3/t23-/m1/s1