(3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(3-methylsulfanylphenyl)-5-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(3-methylsulfanylphenyl)-5-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]-N-(3-pyrrolidinosulfonylphenyl)pyrrolidine-3-carboxamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CSC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N3O4S2/c1-30-19-8-5-7-18(14-19)25-15-16(12-21(25)26)22(27)23-17-6-4-9-20(13-17)31(28,29)24-10-2-3-11-24/h4-9,13-14,16H,2-3,10-12,15H2,1H3,(H,23,27)/t16-/m0/s1