3-(4-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(4-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(4-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propionamide Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H18N2O4S2/c1-24-13-6-3-12(4-7-13)5-10-17(21)20-18-19-15-9-8-14(26(2,22)23)11-16(15)25-18/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,20,21)