3-(4-methoxyphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(4-methoxyphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4-methoxyphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(4-methoxyphenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]propanamide IUPAC Name: 3-(4-methoxyphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(4-methoxyphenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]propionamide Formula: C18H18N2O4S3 MolecularWeight: 422.54152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=CC=C3SC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=CC=C3SC

InChI

InChI=1S/C18H18N2O4S3/c1-24-12-6-8-13(9-7-12)27(22,23)11-10-16(21)19-18-20-17-14(25-2)4-3-5-15(17)26-18/h3-9H,10-11H2,1-2H3,(H,19,20,21)