(E)-3-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-butoxyphenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H22N2O4S2/c1-3-4-13-27-16-8-5-15(6-9-16)7-12-20(24)23-21-22-18-11-10-17(29(2,25)26)14-19(18)28-21/h5-12,14H,3-4,13H2,1-2H3,(H,22,23,24)/b12-7+