N-[3-(4-chlorophenyl)sulfonyl-5-methyl-4-oxidanyl-2-propan-2-yl-phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(4-chlorophenyl)sulfonyl-5-methyl-4-oxidanyl-2-propan-2-yl-phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-isopropyl-5-methyl-phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(4-chlorophenyl)sulfonyl-4-hydroxy-5-methyl-2-propan-2-ylphenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-chlorophenyl)sulfonyl-4-hydroxy-5-methyl-2-propan-2-ylphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-isopropyl-5-methyl-phenyl]-3-nitro-benzenesulfonamide Formula: C22H21ClN2O7S2 MolecularWeight: 524.99434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1O)S(=O)(=O)C2=CC=C(C=C2)Cl)C(C)C)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1O)S(=O)(=O)C2=CC=C(C=C2)Cl)C(C)C)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN2O7S2/c1-13(2)20-19(24-34(31,32)18-6-4-5-16(12-18)25(27)28)11-14(3)21(26)22(20)33(29,30)17-9-7-15(23)8-10-17/h4-13,24,26H,1-3H3