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

Systemtic Name: S-[2-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-[(4-morpholinosulfonylphenyl)sulfonylamino]phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-[[4-(4-morpholinylsulfonyl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-[(4-morpholinosulfonylphenyl)sulfonylamino]phenyl]ethyl] ester Formula: C20H22N2O7S3 MolecularWeight: 498.59288

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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)N3CCOCC3

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H22N2O7S3/c1-15(23)30-14-20(24)16-2-4-17(5-3-16)21-31(25,26)18-6-8-19(9-7-18)32(27,28)22-10-12-29-13-11-22/h2-9,21H,10-14H2,1H3