N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-2-methoxy-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-2-methoxy-5-pyrrolidinosulfonyl-benzamide Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S2/c1-28-20-9-8-18(30(26,27)24-11-2-3-12-24)14-19(20)21(25)23-10-13-29-15-16-4-6-17(22)7-5-16/h4-9,14H,2-3,10-13,15H2,1H3,(H,23,25)