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

Systemtic Name: 3-hexyl-N-methyl-4-(methylamino)-2-nitro-5-(2H-1,2,3-thiadiazol-3-yl)benzenesulfonamide Openeye Name: 3-hexyl-N-methyl-4-(methylamino)-2-nitro-5-(2H-thiadiazol-3-yl)benzenesulfonamide CAS Name: 3-hexyl-N-methyl-4-(methylamino)-2-nitro-5-(2H-thiadiazol-3-yl)benzenesulfonamide IUPAC Name: 3-hexyl-N-methyl-4-(methylamino)-2-nitro-5-(2H-thiadiazol-3-yl)benzenesulfonamide Traditional Name: 3-hexyl-N-methyl-4-(methylamino)-2-nitro-5-(2H-thiadiazol-3-yl)benzenesulfonamide Formula: C16H25N5O4S2 MolecularWeight: 415.5308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O4S2/c1-4-5-6-7-8-12-15(17-2)13(20-9-10-26-19-20)11-14(16(12)21(22)23)27(24,25)18-3/h9-11,17-19H,4-8H2,1-3H3