N-(2,4-dimethylphenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[2-(2-methylthiazol-4-yl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[2-(2-methyl-4-thiazolyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[2-(2-methylthiazol-4-yl)ethylamino]-3-nitro-benzenesulfonamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCCC3=CSC(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCCC3=CSC(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N4O4S2/c1-13-4-6-18(14(2)10-13)23-30(27,28)17-5-7-19(20(11-17)24(25)26)21-9-8-16-12-29-15(3)22-16/h4-7,10-12,21,23H,8-9H2,1-3H3