N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-methyl-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-4-methyl-3-pyrrolidinosulfonyl-benzamide Formula: C21H25FN2O3S2 MolecularWeight: 436.563203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25FN2O3S2/c1-16-8-9-17(14-20(16)29(26,27)24-11-4-5-12-24)21(25)23-10-13-28-15-18-6-2-3-7-19(18)22/h2-3,6-9,14H,4-5,10-13,15H2,1H3,(H,23,25)