N-(2-methyl-5-nitro-phenyl)-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-(2-methyl-5-nitro-phenyl)butanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)butanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)butanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-(2-methyl-5-nitro-phenyl)butyramide Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-5-18(21(28(4,26)27)15-9-6-13(2)7-10-15)19(23)20-17-12-16(22(24)25)11-8-14(17)3/h6-12,18H,5H2,1-4H3,(H,20,23)