S-[2-[3-[2-hydroxyethyl(naphthalen-2-ylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[3-[2-hydroxyethyl(naphthalen-2-ylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[3-[2-hydroxyethyl(2-naphthylsulfonyl)amino]phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-[2-hydroxyethyl(2-naphthalenylsulfonyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[3-[2-hydroxyethyl(naphthalen-2-ylsulfonyl)amino]phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-[2-hydroxyethyl(2-naphthylsulfonyl)amino]phenyl]-2-keto-ethyl] ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC(=CC=C1)N(CCO)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(=O)SCC(=O)C1=CC(=CC=C1)N(CCO)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21NO5S2/c1-16(25)29-15-22(26)19-7-4-8-20(13-19)23(11-12-24)30(27,28)21-10-9-17-5-2-3-6-18(17)14-21/h2-10,13-14,24H,11-12,15H2,1H3