N-(2,4-dimethylphenyl)-3-nitro-4-(1-pyridin-2-ylethylamino)benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-(1-pyridin-2-ylethylamino)benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-3-nitro-4-[1-(2-pyridyl)ethylamino]benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-[1-(2-pyridinyl)ethylamino]benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-nitro-4-(1-pyridin-2-ylethylamino)benzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-3-nitro-4-[1-(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)NC(C)C3=CC=CC=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC(C)C3=CC=CC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O4S/c1-14-7-9-18(15(2)12-14)24-30(28,29)17-8-10-20(21(13-17)25(26)27)23-16(3)19-6-4-5-11-22-19/h4-13,16,23-24H,1-3H3