N-(2-dimethylaminoethyl)-4-[(3,5-dimethylphenyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[(3,5-dimethylphenyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-(3,5-dimethylanilino)-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-(3,5-dimethylanilino)-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(3,5-dimethylanilino)-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-(3,5-dimethylanilino)-3-nitro-benzenesulfonamide Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S/c1-13-9-14(2)11-15(10-13)20-17-6-5-16(12-18(17)22(23)24)27(25,26)19-7-8-21(3)4/h5-6,9-12,19-20H,7-8H2,1-4H3