N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-[(4-fluorophenyl)methylsulfanylmethyl]thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[[(4-fluorophenyl)methylthio]methyl]-2-thiazolyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[[(4-fluorobenzyl)thio]methyl]thiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H22FN3O3S3 MolecularWeight: 491.621783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)CSCC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)CSCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O3S3/c23-18-7-3-16(4-8-18)13-30-14-19-15-31-22(24-19)25-21(27)17-5-9-20(10-6-17)32(28,29)26-11-1-2-12-26/h3-10,15H,1-2,11-14H2,(H,24,25,27)