(E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-prop-2-enamide CAS Name: (E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide Traditional Name: (E)-N-benzyl-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-phenyl-acrylamide Formula: C24H20N2O3S2 MolecularWeight: 448.5572

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O3S2/c1-31(28,29)20-13-14-21-22(16-20)30-24(25-21)26(17-19-10-6-3-7-11-19)23(27)15-12-18-8-4-2-5-9-18/h2-16H,17H2,1H3/b15-12+