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

Systemtic Name: S-[2-oxidanylidene-2-[6-[(4-pyrrolidin-1-ylphenyl)sulfonylamino]pyridin-3-yl]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[6-[(4-pyrrolidin-1-ylphenyl)sulfonylamino]-3-pyridyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[6-[[4-(1-pyrrolidinyl)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[6-[(4-pyrrolidin-1-ylphenyl)sulfonylamino]pyridin-3-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[6-[(4-pyrrolidinophenyl)sulfonylamino]-3-pyridyl]ethyl] ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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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)N3CCCC3

Isomeric SMILES

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C19H21N3O4S2/c1-14(23)27-13-18(24)15-4-9-19(20-12-15)21-28(25,26)17-7-5-16(6-8-17)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,20,21)