N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-methylsulfonyl-indoline-5-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-mesyl-indoline-5-carboxamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H21N3O3S2/c1-28(25,26)23-10-8-15-12-16(6-7-19(15)23)20(24)22-9-11-27-14-18-5-3-2-4-17(18)13-21/h2-7,12H,8-11,14H2,1H3,(H,22,24)