3-butyl-4-(methylamino)-2-nitro-5-(2H-1,2,3-thiadiazol-3-yl)benzenesulfonamide

Systemtic Name: 3-butyl-4-(methylamino)-2-nitro-5-(2H-1,2,3-thiadiazol-3-yl)benzenesulfonamide Openeye Name: 3-butyl-4-(methylamino)-2-nitro-5-(2H-thiadiazol-3-yl)benzenesulfonamide CAS Name: 3-butyl-4-(methylamino)-2-nitro-5-(2H-thiadiazol-3-yl)benzenesulfonamide IUPAC Name: 3-butyl-4-(methylamino)-2-nitro-5-(2H-thiadiazol-3-yl)benzenesulfonamide Traditional Name: 3-butyl-4-(methylamino)-2-nitro-5-(2H-thiadiazol-3-yl)benzenesulfonamide Formula: C13H19N5O4S2 MolecularWeight: 373.45106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1[N+](=O)[O-])S(=O)(=O)N)N2C=CSN2)NC

Isomeric SMILES

CCCCC1=C(C(=CC(=C1[N+](=O)[O-])S(=O)(=O)N)N2C=CSN2)NC

InChI

InChI=1S/C13H19N5O4S2/c1-3-4-5-9-12(15-2)10(17-6-7-23-16-17)8-11(24(14,21)22)13(9)18(19)20/h6-8,15-16H,3-5H2,1-2H3,(H2,14,21,22)