S-[2-[6-[[4-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylamino]pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[6-[[4-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylamino]pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[6-[[4-[(1-methyl-4-piperidyl)oxy]phenyl]sulfonylamino]-3-pyridyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[6-[[4-[(1-methyl-4-piperidinyl)oxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[6-[[4-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylamino]pyridin-3-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[6-[[4-[(1-methyl-4-piperidyl)oxy]phenyl]sulfonylamino]-3-pyridyl]ethyl] ester Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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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)OC3CCN(CC3)C

Isomeric SMILES

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC3CCN(CC3)C

InChI

InChI=1S/C21H25N3O5S2/c1-15(25)30-14-20(26)16-3-8-21(22-13-16)23-31(27,28)19-6-4-17(5-7-19)29-18-9-11-24(2)12-10-18/h3-8,13,18H,9-12,14H2,1-2H3,(H,22,23)