N-(3-methoxypyrazin-2-yl)-4-[(2,4,6-trinitrophenyl)amino]benzenesulfonamide

Systemtic Name: N-(3-methoxypyrazin-2-yl)-4-[(2,4,6-trinitrophenyl)amino]benzenesulfonamide Openeye Name: N-(3-methoxypyrazin-2-yl)-4-(2,4,6-trinitroanilino)benzenesulfonamide CAS Name: N-(3-methoxy-2-pyrazinyl)-4-(2,4,6-trinitroanilino)benzenesulfonamide IUPAC Name: N-(3-methoxypyrazin-2-yl)-4-(2,4,6-trinitroanilino)benzenesulfonamide Traditional Name: N-(3-methoxypyrazin-2-yl)-4-(2,4,6-trinitroanilino)benzenesulfonamide Formula: C17H13N7O9S MolecularWeight: 491.39162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O9S/c1-33-17-16(18-6-7-19-17)21-34(31,32)12-4-2-10(3-5-12)20-15-13(23(27)28)8-11(22(25)26)9-14(15)24(29)30/h2-9,20H,1H3,(H,18,21)