N-[2-[(E)-2-cyanoethenyl]sulfonylphenyl]-4-nitro-butane-1-sulfonamide

Systemtic Name: N-[2-[(E)-2-cyanoethenyl]sulfonylphenyl]-4-nitro-butane-1-sulfonamide Openeye Name: N-[2-[(E)-2-cyanovinyl]sulfonylphenyl]-4-nitro-butane-1-sulfonamide CAS Name: N-[2-[(E)-2-cyanoethenyl]sulfonylphenyl]-4-nitro-1-butanesulfonamide IUPAC Name: N-[2-[(E)-2-cyanoethenyl]sulfonylphenyl]-4-nitrobutane-1-sulfonamide Traditional Name: N-[2-[(E)-2-cyanovinyl]sulfonylphenyl]-4-nitro-butane-1-sulfonamide Formula: C13H15N3O6S2 MolecularWeight: 373.4047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C(=C1)NS(=O)(=O)CCCC[N+](=O)[O-])S(=O)(=O)/C=C/C#N

InChI

InChI=1S/C13H15N3O6S2/c14-8-5-10-23(19,20)13-7-2-1-6-12(13)15-24(21,22)11-4-3-9-16(17)18/h1-2,5-7,10,15H,3-4,9,11H2/b10-5+