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

Systemtic Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]propanamide CAS Name: N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-benzylsulfonyl-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]propionamide Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S2/c1-27-18-9-8-16(12-19(18)28-2)17-13-29-21(22-17)23-20(24)10-11-30(25,26)14-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,23,24)