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

Systemtic Name: N-[5-methyl-4-oxidanyl-3-(phenylsulfonyl)-2-propan-2-yl-phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(benzenesulfonyl)-4-hydroxy-2-isopropyl-5-methyl-phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-propan-2-ylphenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-propan-2-ylphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-(3-besyl-4-hydroxy-2-isopropyl-5-methyl-phenyl)-3-nitro-benzenesulfonamide Formula: C22H22N2O7S2 MolecularWeight: 490.54928

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H22N2O7S2/c1-14(2)20-19(23-33(30,31)18-11-7-8-16(13-18)24(26)27)12-15(3)21(25)22(20)32(28,29)17-9-5-4-6-10-17/h4-14,23,25H,1-3H3