(2S)-2-methyl-1-methylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydroindole-5-carboxamide

Systemtic Name: (2S)-2-methyl-1-methylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydroindole-5-carboxamide Openeye Name: (2S)-N-(2-benzylsulfanylethyl)-2-methyl-1-methylsulfonyl-indoline-5-carboxamide CAS Name: (2S)-2-methyl-1-methylsulfonyl-N-[2-(phenylmethylthio)ethyl]-2,3-dihydroindole-5-carboxamide IUPAC Name: (2S)-N-(2-benzylsulfanylethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide Traditional Name: (2S)-N-[2-(benzylthio)ethyl]-1-mesyl-2-methyl-indoline-5-carboxamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S2/c1-15-12-18-13-17(8-9-19(18)22(15)27(2,24)25)20(23)21-10-11-26-14-16-6-4-3-5-7-16/h3-9,13,15H,10-12,14H2,1-2H3,(H,21,23)/t15-/m0/s1