N-(2-methyl-3-nitro-phenyl)-4-[(4-methylphenyl)-methylsulfonyl-amino]butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)S(=O)(=O)C

InChI

InChI=1S/C19H23N3O5S/c1-14-9-11-16(12-10-14)21(28(3,26)27)13-5-8-19(23)20-17-6-4-7-18(15(17)2)22(24)25/h4,6-7,9-12H,5,8,13H2,1-3H3,(H,20,23)