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

Systemtic Name: 3-methyl-N-[4-[(4-methylsulfonyl-2-nitro-phenyl)amino]phenyl]butanamide Openeye Name: 3-methyl-N-[4-(4-methylsulfonyl-2-nitro-anilino)phenyl]butanamide CAS Name: 3-methyl-N-[4-(4-methylsulfonyl-2-nitroanilino)phenyl]butanamide IUPAC Name: 3-methyl-N-[4-(4-methylsulfonyl-2-nitroanilino)phenyl]butanamide Traditional Name: N-[4-(4-mesyl-2-nitro-anilino)phenyl]-3-methyl-butyramide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-12(2)10-18(22)20-14-6-4-13(5-7-14)19-16-9-8-15(27(3,25)26)11-17(16)21(23)24/h4-9,11-12,19H,10H2,1-3H3,(H,20,22)