N-(2-tert-butylsulfanylethyl)-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-tert-butylsulfanylethyl)-2-chloro-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(tert-butylthio)ethyl]-2-chloro-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(tert-butylthio)ethyl]-2-chloro-5-pyrrolidinosulfonyl-benzamide Formula: C17H25ClN2O3S2 MolecularWeight: 404.975

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

InChI

InChI=1S/C17H25ClN2O3S2/c1-17(2,3)24-11-8-19-16(21)14-12-13(6-7-15(14)18)25(22,23)20-9-4-5-10-20/h6-7,12H,4-5,8-11H2,1-3H3,(H,19,21)