S-[2-oxidanylidene-2-[6-[[4-(4-phenylbutoxy)phenyl]sulfonylamino]pyridin-3-yl]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[6-[[4-(4-phenylbutoxy)phenyl]sulfonylamino]pyridin-3-yl]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[6-[[4-(4-phenylbutoxy)phenyl]sulfonylamino]-3-pyridyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[6-[[4-(4-phenylbutoxy)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[6-[[4-(4-phenylbutoxy)phenyl]sulfonylamino]pyridin-3-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[6-[[4-(4-phenylbutoxy)phenyl]sulfonylamino]-3-pyridyl]ethyl] ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5S2/c1-19(28)33-18-24(29)21-10-15-25(26-17-21)27-34(30,31)23-13-11-22(12-14-23)32-16-6-5-9-20-7-3-2-4-8-20/h2-4,7-8,10-15,17H,5-6,9,16,18H2,1H3,(H,26,27)