S-[3-[(4-methylsulfonyl-1-oxidanyl-butyl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate

Systemtic Name: S-[3-[(4-methylsulfonyl-1-oxidanyl-butyl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate Openeye Name: S-[2-benzyl-3-[(1-hydroxy-4-methylsulfonyl-butyl)amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[(1-hydroxy-4-methylsulfonylbutyl)amino]-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-[2-benzyl-3-[(1-hydroxy-4-methylsulfonylbutyl)amino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-benzyl-3-[(1-hydroxy-4-mesyl-butyl)amino]-3-keto-propyl] ester Formula: C22H27NO5S2 MolecularWeight: 449.58348

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCC(NC(=O)C(CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CS(=O)(=O)CCCC(NC(=O)C(CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C22H27NO5S2/c1-30(27,28)14-8-13-20(24)23-21(25)19(15-17-9-4-2-5-10-17)16-29-22(26)18-11-6-3-7-12-18/h2-7,9-12,19-20,24H,8,13-16H2,1H3,(H,23,25)