4-methylbenzenesulfonic acid; (E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine

Systemtic Name: 4-methylbenzenesulfonic acid; (E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine Openeye Name: (E)-1-(benzenesulfonyl)-5-phenyl-pent-1-en-3-amine; 4-methylbenzenesulfonic acid CAS Name: (E)-1-(benzenesulfonyl)-5-phenyl-1-penten-3-amine; 4-methylbenzenesulfonic acid IUPAC Name: (E)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine; 4-methylbenzenesulfonic acid Traditional Name: [(E)-3-besyl-1-phenethyl-allyl]amine; tosylic acid Formula: C24H27NO5S2 MolecularWeight: 473.60488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H19NO2S.C7H8O3S/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,13-14,16H,11-12,18H2;2-5H,1H3,(H,8,9,10)/b14-13+;