N-[5-(3,4-dimethoxyphenyl)carbonyl-2-nitro-phenyl]-3-methyl-butane-2-sulfonamide

Systemtic Name: N-[5-(3,4-dimethoxyphenyl)carbonyl-2-nitro-phenyl]-3-methyl-butane-2-sulfonamide Openeye Name: N-[5-(3,4-dimethoxybenzoyl)-2-nitro-phenyl]-3-methyl-butane-2-sulfonamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)-oxomethyl]-2-nitrophenyl]-3-methyl-2-butanesulfonamide IUPAC Name: N-[5-(3,4-dimethoxybenzoyl)-2-nitrophenyl]-3-methylbutane-2-sulfonamide Traditional Name: 3-methyl-N-(2-nitro-5-veratroyl-phenyl)butane-2-sulfonamide Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)S(=O)(=O)NC1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C)S(=O)(=O)NC1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O7S/c1-12(2)13(3)30(26,27)21-16-10-14(6-8-17(16)22(24)25)20(23)15-7-9-18(28-4)19(11-15)29-5/h6-13,21H,1-5H3