4-chloranyl-4-(4-methylphenyl)sulfonyl-1-(3-nitrophenyl)-3-phenyl-butan-1-ol

Systemtic Name: 4-chloranyl-4-(4-methylphenyl)sulfonyl-1-(3-nitrophenyl)-3-phenyl-butan-1-ol Openeye Name: 4-chloro-1-(3-nitrophenyl)-3-phenyl-4-(p-tolylsulfonyl)butan-1-ol CAS Name: 4-chloro-4-(4-methylphenyl)sulfonyl-1-(3-nitrophenyl)-3-phenyl-1-butanol IUPAC Name: 4-chloro-4-(4-methylphenyl)sulfonyl-1-(3-nitrophenyl)-3-phenylbutan-1-ol Traditional Name: 4-chloro-1-(3-nitrophenyl)-3-phenyl-4-tosyl-butan-1-ol Formula: C23H22ClNO5S MolecularWeight: 459.94248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO5S/c1-16-10-12-20(13-11-16)31(29,30)23(24)21(17-6-3-2-4-7-17)15-22(26)18-8-5-9-19(14-18)25(27)28/h2-14,21-23,26H,15H2,1H3