4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[(3,4-dimethoxyphenyl)methylamino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-(veratrylamino)benzenesulfonamide Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O6S/c1-12(2)20-28(24,25)14-6-7-15(16(10-14)21(22)23)19-11-13-5-8-17(26-3)18(9-13)27-4/h5-10,12,19-20H,11H2,1-4H3