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

Systemtic Name: S-[2-oxidanylidene-2-[4-[[4-(4-phenylbutoxy)phenyl]sulfonylamino]phenyl]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[4-[[4-(4-phenylbutoxy)phenyl]sulfonylamino]phenyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[4-[[4-(4-phenylbutoxy)phenyl]sulfonylamino]phenyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[4-[[4-(4-phenylbutoxy)phenyl]sulfonylamino]phenyl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-[[4-(4-phenylbutoxy)phenyl]sulfonylamino]phenyl]ethyl] ester Formula: C26H27NO5S2 MolecularWeight: 497.62628

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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)OCCCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO5S2/c1-20(28)33-19-26(29)22-10-12-23(13-11-22)27-34(30,31)25-16-14-24(15-17-25)32-18-6-5-9-21-7-3-2-4-8-21/h2-4,7-8,10-17,27H,5-6,9,18-19H2,1H3