S-[2-oxidanylidene-2-[6-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylamino]pyridin-3-yl]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[6-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylamino]pyridin-3-yl]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[6-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylamino]-3-pyridyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[6-[[4-[3-(1-pyrrolidinyl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[6-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylamino]pyridin-3-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[6-[[4-(3-pyrrolidinopropoxy)phenyl]sulfonylamino]-3-pyridyl]ethyl] ester Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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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)OCCCN3CCCC3

Isomeric SMILES

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCCCN3CCCC3

InChI

InChI=1S/C22H27N3O5S2/c1-17(26)31-16-21(27)18-5-10-22(23-15-18)24-32(28,29)20-8-6-19(7-9-20)30-14-4-13-25-11-2-3-12-25/h5-10,15H,2-4,11-14,16H2,1H3,(H,23,24)