[4-[N-[(Z)-2-cyano-2-thiophen-2-ylsulfonyl-ethenyl]-S-methyl-sulfonimidoyl]phenyl] 4-chloranylbenzoate

Systemtic Name: [4-[N-[(Z)-2-cyano-2-thiophen-2-ylsulfonyl-ethenyl]-S-methyl-sulfonimidoyl]phenyl] 4-chloranylbenzoate Openeye Name: [4-[N-[(Z)-2-cyano-2-(2-thienylsulfonyl)vinyl]-S-methyl-sulfonimidoyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[N-[(Z)-2-cyano-2-thiophen-2-ylsulfonylethenyl]-S-methylsulfonimidoyl]phenyl] ester IUPAC Name: [4-[N-[(Z)-2-cyano-2-thiophen-2-ylsulfonylethenyl]-S-methylsulfonimidoyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[N-[(Z)-2-cyano-2-(2-thienylsulfonyl)vinyl]-S-methyl-sulfonimidoyl]phenyl] ester Formula: C21H15ClN2O5S3 MolecularWeight: 507.0022

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Descriptors Computed from Structure

Canonical SMILES:

CS(=NC=C(C#N)S(=O)(=O)C1=CC=CS1)(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[S@](=N/C=C(/C#N)\S(=O)(=O)C1=CC=CS1)(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H15ClN2O5S3/c1-31(26,24-14-19(13-23)32(27,28)20-3-2-12-30-20)18-10-8-17(9-11-18)29-21(25)15-4-6-16(22)7-5-15/h2-12,14H,1H3/b19-14-/t31-/m0/s1