N-(3-chlorophenyl)-4-[4-(5-methoxy-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(3-chlorophenyl)-4-[4-(5-methoxy-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(3-chlorophenyl)-4-[4-(2-hydroxy-5-methoxy-benzoyl)pyrazol-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-(3-chlorophenyl)-4-[4-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-1-pyrazolyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(3-chlorophenyl)-4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(3-chlorophenyl)-4-[4-(2-hydroxy-5-methoxy-benzoyl)pyrazol-1-yl]-3-nitro-benzenesulfonamide Formula: C23H17ClN4O7S MolecularWeight: 528.92168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=C(C=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=C(C=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN4O7S/c1-35-17-5-8-22(29)19(10-17)23(30)14-12-25-27(13-14)20-7-6-18(11-21(20)28(31)32)36(33,34)26-16-4-2-3-15(24)9-16/h2-13,26,29H,1H3