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

Systemtic Name: N-[5-methyl-4-oxidanyl-3-(phenylsulfonyl)-2-propan-2-yl-phenyl]-3-nitro-benzamide Openeye Name: N-[3-(benzenesulfonyl)-4-hydroxy-2-isopropyl-5-methyl-phenyl]-3-nitro-benzamide CAS Name: N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-propan-2-ylphenyl]-3-nitrobenzamide IUPAC Name: N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-propan-2-ylphenyl]-3-nitrobenzamide Traditional Name: N-(3-besyl-4-hydroxy-2-isopropyl-5-methyl-phenyl)-3-nitro-benzamide Formula: C23H22N2O6S MolecularWeight: 454.49558

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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)NC(=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)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6S/c1-14(2)20-19(24-23(27)16-8-7-9-17(13-16)25(28)29)12-15(3)21(26)22(20)32(30,31)18-10-5-4-6-11-18/h4-14,26H,1-3H3,(H,24,27)