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

Systemtic Name: N-[3-(4-methoxyphenyl)sulfonyl-4-oxidanyl-5-propan-2-yl-phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-hydroxy-3-isopropyl-5-(4-methoxyphenyl)sulfonyl-phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-propan-2-ylphenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-propan-2-ylphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-hydroxy-3-isopropyl-5-(4-methoxyphenyl)sulfonyl-phenyl]-3-nitro-benzenesulfonamide Formula: C22H22N2O8S2 MolecularWeight: 506.54868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1O)S(=O)(=O)C2=CC=C(C=C2)OC)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=CC(=C1O)S(=O)(=O)C2=CC=C(C=C2)OC)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O8S2/c1-14(2)20-11-15(23-34(30,31)19-6-4-5-16(13-19)24(26)27)12-21(22(20)25)33(28,29)18-9-7-17(32-3)8-10-18/h4-14,23,25H,1-3H3