2-[[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl]-methyl-amino]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl]-methyl-amino]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-2-nitro-anilino]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-2-nitroanilino]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-2-nitroanilino]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-2-nitro-anilino]-N-(3-methoxypropyl)acetamide Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N(C)CC(=O)NCCCOC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N(C)CC(=O)NCCCOC)[N+](=O)[O-])C

InChI

InChI=1S/C21H28N4O6S/c1-15-6-8-18(16(2)12-15)23-32(29,30)17-7-9-19(20(13-17)25(27)28)24(3)14-21(26)22-10-5-11-31-4/h6-9,12-13,23H,5,10-11,14H2,1-4H3,(H,22,26)