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

Systemtic Name: 3-hexyl-4-(methylamino)-2-nitro-5-(2H-1,2,3-thiadiazol-3-yl)benzenesulfonamide Openeye Name: 3-hexyl-4-(methylamino)-2-nitro-5-(2H-thiadiazol-3-yl)benzenesulfonamide CAS Name: 3-hexyl-4-(methylamino)-2-nitro-5-(2H-thiadiazol-3-yl)benzenesulfonamide IUPAC Name: 3-hexyl-4-(methylamino)-2-nitro-5-(2H-thiadiazol-3-yl)benzenesulfonamide Traditional Name: 3-hexyl-4-(methylamino)-2-nitro-5-(2H-thiadiazol-3-yl)benzenesulfonamide Formula: C15H23N5O4S2 MolecularWeight: 401.50422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=CC(=C1[N+](=O)[O-])S(=O)(=O)N)N2C=CSN2)NC

Isomeric SMILES

CCCCCCC1=C(C(=CC(=C1[N+](=O)[O-])S(=O)(=O)N)N2C=CSN2)NC

InChI

InChI=1S/C15H23N5O4S2/c1-3-4-5-6-7-11-14(17-2)12(19-8-9-25-18-19)10-13(26(16,23)24)15(11)20(21)22/h8-10,17-18H,3-7H2,1-2H3,(H2,16,23,24)