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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1S(=O)(=O)C2=CC=CC=C2)O)C(C)C)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1S(=O)(=O)C2=CC=CC=C2)O)C(C)C)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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