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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCC2=CSC(=N2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCC2=CSC(=N2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O4S2/c1-4-19(5-2)26(23,24)14-6-7-15(16(10-14)20(21)22)17-9-8-13-11-25-12(3)18-13/h6-7,10-11,17H,4-5,8-9H2,1-3H3