N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]butanamide CAS Name: N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-benzylsulfonyl-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]butyramide Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H24N2O5S2/c1-28-19-11-10-17(13-20(19)29-2)18-14-30-22(23-18)24-21(25)9-6-12-31(26,27)15-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14H,6,9,12,15H2,1-2H3,(H,23,24,25)