N-(2,4-dimethylphenyl)-3-nitro-4-(2-pyridin-2-ylethylamino)benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-(2-pyridin-2-ylethylamino)benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-3-nitro-4-[2-(2-pyridyl)ethylamino]benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-[2-(2-pyridinyl)ethylamino]benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-nitro-4-(2-pyridin-2-ylethylamino)benzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-3-nitro-4-[2-(2-pyridyl)ethylamino]benzenesulfonamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-15-6-8-19(16(2)13-15)24-30(28,29)18-7-9-20(21(14-18)25(26)27)23-12-10-17-5-3-4-11-22-17/h3-9,11,13-14,23-24H,10,12H2,1-2H3