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

Systemtic Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]thiazol-2-yl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[4-[[(3,5-dimethoxyphenyl)methylthio]methyl]-2-thiazolyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[[(3,5-dimethoxybenzyl)thio]methyl]thiazol-2-yl]-4-piperidinosulfonyl-benzamide Formula: C25H29N3O5S3 MolecularWeight: 547.70986

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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)N4CCCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CSCC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)OC

InChI

InChI=1S/C25H29N3O5S3/c1-32-21-12-18(13-22(14-21)33-2)15-34-16-20-17-35-25(26-20)27-24(29)19-6-8-23(9-7-19)36(30,31)28-10-4-3-5-11-28/h6-9,12-14,17H,3-5,10-11,15-16H2,1-2H3,(H,26,27,29)