[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylsulfanyl-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylsulfanyl-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylsulfanyl-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(methylthio)phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylsulfanylphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(methylthio)phenyl]-pyrrolidino-methanone Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)N4CCCC4

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)N4CCCC4

InChI

InChI=1S/C21H24N2O3S2/c1-27-20-9-8-18(14-19(20)21(24)22-11-4-5-12-22)28(25,26)23-13-10-16-6-2-3-7-17(16)15-23/h2-3,6-9,14H,4-5,10-13,15H2,1H3