(phenylmethyl) N-methyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carboximidothioate

Systemtic Name: (phenylmethyl) N-methyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carboximidothioate Openeye Name: benzyl N-methyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carboximidothioate CAS Name: N-methyl-4-(4-nitrophenyl)sulfonyl-1-piperazinecarboximidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N-methyl-4-(4-nitrophenyl)sulfonylpiperazine-1-carboximidothioate Traditional Name: N-methyl-4-nosyl-piperazine-1-carboximidothioic acid benzyl ester Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CN=C(N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O4S2/c1-20-19(28-15-16-5-3-2-4-6-16)21-11-13-22(14-12-21)29(26,27)18-9-7-17(8-10-18)23(24)25/h2-10H,11-15H2,1H3