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

Systemtic Name: [5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylsulfanyl-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylsulfanyl-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-(methylthio)phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylsulfanylphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [5-(3,4-dihydro-2H-quinolin-1-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)N2CCCC3=CC=CC=C32)C(=O)N4CCCC4

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)C(=O)N4CCCC4

InChI

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