2-methoxy-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methoxy-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-methoxy-N-[2-(m-tolylmethylsulfanyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-methoxy-N-[2-[(3-methylphenyl)methylthio]ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-methoxy-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-methoxy-N-[2-[(3-methylbenzyl)thio]ethyl]-5-pyrrolidinosulfonyl-benzamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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