N,N-bis(cyanomethyl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N,N-bis(cyanomethyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N,N-bis(cyanomethyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N,N-bis(cyanomethyl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N,N-bis(cyanomethyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N,N-bis(cyanomethyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C11H10N4O4S MolecularWeight: 294.2865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O4S/c1-9-2-3-10(8-11(9)15(16)17)20(18,19)14(6-4-12)7-5-13/h2-3,8H,6-7H2,1H3