2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-nitrophenyl)butanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-nitrophenyl)butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(3-nitrophenyl)butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-nitrophenyl)butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-nitrophenyl)butanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-(3-nitrophenyl)butyramide Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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