S-[2-[3-[2-dimethylaminoethyl(pyridin-4-ylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[3-[2-dimethylaminoethyl(pyridin-4-ylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[3-[2-dimethylaminoethyl(4-pyridylsulfonyl)amino]phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-[2-dimethylaminoethyl(pyridin-4-ylsulfonyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[3-[2-dimethylaminoethyl(pyridin-4-ylsulfonyl)amino]phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-[2-dimethylaminoethyl(4-pyridylsulfonyl)amino]phenyl]-2-keto-ethyl] ester Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC(=CC=C1)N(CCN(C)C)S(=O)(=O)C2=CC=NC=C2

Isomeric SMILES

CC(=O)SCC(=O)C1=CC(=CC=C1)N(CCN(C)C)S(=O)(=O)C2=CC=NC=C2

InChI

InChI=1S/C19H23N3O4S2/c1-15(23)27-14-19(24)16-5-4-6-17(13-16)22(12-11-21(2)3)28(25,26)18-7-9-20-10-8-18/h4-10,13H,11-12,14H2,1-3H3