4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]aniline

Systemtic Name: 4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]aniline Openeye Name: 4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)vinyl]aniline CAS Name: 4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]aniline IUPAC Name: 4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]aniline Traditional Name: [(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)vinyl]-phenyl-amine tosylate Formula: C23H23N2O4S- MolecularWeight: 423.50472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(OC2=CC=CC=C21)C=CNC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(OC2=CC=CC=C21)/C=C/NC3=CC=CC=C3

InChI

InChI=1S/C16H16N2O.C7H8O3S/c1-18-14-9-5-6-10-15(14)19-16(18)11-12-17-13-7-3-2-4-8-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-12,16-17H,1H3;2-5H,1H3,(H,8,9,10)/p-1/b12-11+;