2-methyl-N-[2-(phenylmethylsulfanyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methyl-N-[2-(phenylmethylsulfanyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-benzylsulfanylethyl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-methyl-N-[2-(phenylmethylthio)ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(benzylthio)ethyl]-2-methyl-5-pyrrolidinosulfonyl-benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-17-9-10-19(28(25,26)23-12-5-6-13-23)15-20(17)21(24)22-11-14-27-16-18-7-3-2-4-8-18/h2-4,7-10,15H,5-6,11-14,16H2,1H3,(H,22,24)