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

Systemtic Name: N-tert-butyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[2-(2-methylthiazol-4-yl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[2-(2-methyl-4-thiazolyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[2-(2-methylthiazol-4-yl)ethylamino]-3-nitro-benzenesulfonamide Formula: C16H22N4O4S2 MolecularWeight: 398.50028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CCNC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CCNC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O4S2/c1-11-18-12(10-25-11)7-8-17-14-6-5-13(9-15(14)20(21)22)26(23,24)19-16(2,3)4/h5-6,9-10,17,19H,7-8H2,1-4H3