S-[2-[4-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-[(4-mesylphenyl)sulfonylamino]phenyl]ethyl] ester Formula: C17H17NO6S3 MolecularWeight: 427.51498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H17NO6S3/c1-12(19)25-11-17(20)13-3-5-14(6-4-13)18-27(23,24)16-9-7-15(8-10-16)26(2,21)22/h3-10,18H,11H2,1-2H3