4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide

Systemtic Name: 4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide Openeye Name: 4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide CAS Name: 4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide IUPAC Name: 4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide Traditional Name: N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide tosylate Formula: C25H24N2O4S2 MolecularWeight: 480.59906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)N(C=CC1=[N+](C2=CC=CC=C2S1)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)N(/C=C/C1=[N+](C2=CC=CC=C2S1)C)C3=CC=CC=C3

InChI

InChI=1S/C18H17N2OS.C7H8O3S/c1-14(21)20(15-8-4-3-5-9-15)13-12-18-19(2)16-10-6-7-11-17(16)22-18;1-6-2-4-7(5-3-6)11(8,9)10/h3-13H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1