N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[[(3,5-dimethoxyphenyl)methylthio]methyl]-2-thiazolyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[[(3,5-dimethoxybenzyl)thio]methyl]thiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C24H27N3O5S3 MolecularWeight: 533.68328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CSCC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CSCC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C24H27N3O5S3/c1-31-20-11-17(12-21(13-20)32-2)14-33-15-19-16-34-24(25-19)26-23(28)18-5-7-22(8-6-18)35(29,30)27-9-3-4-10-27/h5-8,11-13,16H,3-4,9-10,14-15H2,1-2H3,(H,25,26,28)