3-(4-tert-butylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: 3-(4-tert-butylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: 3-(4-tert-butylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: 3-(4-tert-butylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: 3-(4-tert-butylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: 3-(4-tert-butylphenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-21(2,3)15-8-5-14(6-9-15)7-12-19(24)23-20-22-17-11-10-16(28(4,25)26)13-18(17)27-20/h5-13H,1-4H3,(H,22,23,24)