N,N-dimethyl-3-[[(2-methyl-3-nitro-phenyl)amino]methyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[(2-methyl-3-nitro-phenyl)amino]methyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[(2-methyl-3-nitro-anilino)methyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[(2-methyl-3-nitroanilino)methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[(2-methyl-3-nitroanilino)methyl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[(2-methyl-3-nitro-anilino)methyl]benzenesulfonamide Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NCC2=CC(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NCC2=CC(=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C16H19N3O4S/c1-12-15(8-5-9-16(12)19(20)21)17-11-13-6-4-7-14(10-13)24(22,23)18(2)3/h4-10,17H,11H2,1-3H3