4-methylbenzenesulfonic acid; (4E,6E)-1-phenyl-7-(phenylsulfonyl)hepta-4,6-dien-3-amine

Systemtic Name: 4-methylbenzenesulfonic acid; (4E,6E)-1-phenyl-7-(phenylsulfonyl)hepta-4,6-dien-3-amine Openeye Name: (4E,6E)-7-(benzenesulfonyl)-1-phenyl-hepta-4,6-dien-3-amine; 4-methylbenzenesulfonic acid CAS Name: (4E,6E)-7-(benzenesulfonyl)-1-phenyl-3-hepta-4,6-dienamine; 4-methylbenzenesulfonic acid IUPAC Name: (4E,6E)-7-(benzenesulfonyl)-1-phenylhepta-4,6-dien-3-amine; 4-methylbenzenesulfonic acid Traditional Name: [(2E,4E)-5-besyl-1-phenethyl-penta-2,4-dienyl]amine; tosylic acid Formula: C26H29NO5S2 MolecularWeight: 499.64216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCC(C=CC=CS(=O)(=O)C2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCC(/C=C/C=C/S(=O)(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C19H21NO2S.C7H8O3S/c20-18(15-14-17-9-3-1-4-10-17)11-7-8-16-23(21,22)19-12-5-2-6-13-19;1-6-2-4-7(5-3-6)11(8,9)10/h1-13,16,18H,14-15,20H2;2-5H,1H3,(H,8,9,10)/b11-7+,16-8+;