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

Systemtic Name: 2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-methoxy-N-[2-(p-tolylmethylsulfanyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-methoxy-N-[2-[(4-methylphenyl)methylthio]ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-methoxy-N-[2-[(4-methylbenzyl)thio]ethyl]-5-pyrrolidinosulfonyl-benzamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C22H28N2O4S2/c1-17-5-7-18(8-6-17)16-29-14-11-23-22(25)20-15-19(9-10-21(20)28-2)30(26,27)24-12-3-4-13-24/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,23,25)