N-(2-dimethylaminoethyl)-4-[(3-fluoranyl-4-methyl-phenyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[(3-fluoranyl-4-methyl-phenyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-(3-fluoro-4-methyl-anilino)-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-(3-fluoro-4-methylanilino)-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(3-fluoro-4-methylanilino)-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-(3-fluoro-4-methyl-anilino)-3-nitro-benzenesulfonamide Formula: C17H21FN4O4S MolecularWeight: 396.436443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-])F

InChI

InChI=1S/C17H21FN4O4S/c1-12-4-5-13(10-15(12)18)20-16-7-6-14(11-17(16)22(23)24)27(25,26)19-8-9-21(2)3/h4-7,10-11,19-20H,8-9H2,1-3H3