[5-(azepan-1-ylsulfonyl)-2-methylsulfanyl-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methylsulfanyl-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methylsulfanyl-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [5-(1-azepanylsulfonyl)-2-(methylthio)phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methylsulfanylphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-(methylthio)phenyl]-pyrrolidino-methanone Formula: C18H26N2O3S2 MolecularWeight: 382.54064

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCCC3

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCCC3

InChI

InChI=1S/C18H26N2O3S2/c1-24-17-9-8-15(14-16(17)18(21)19-10-6-7-11-19)25(22,23)20-12-4-2-3-5-13-20/h8-9,14H,2-7,10-13H2,1H3