(2S)-1-[6-chloranyl-5-(4-ethenylpyridin-2-yl)pyridin-3-yl]oxy-3-phenyl-propan-2-amine; 4-methylbenzenesulfonic acid

Systemtic Name: (2S)-1-[6-chloranyl-5-(4-ethenylpyridin-2-yl)pyridin-3-yl]oxy-3-phenyl-propan-2-amine; 4-methylbenzenesulfonic acid Openeye Name: (2S)-1-[[6-chloro-5-(4-vinyl-2-pyridyl)-3-pyridyl]oxy]-3-phenyl-propan-2-amine; 4-methylbenzenesulfonic acid CAS Name: (2S)-1-[[6-chloro-5-(4-ethenyl-2-pyridinyl)-3-pyridinyl]oxy]-3-phenyl-2-propanamine; 4-methylbenzenesulfonic acid IUPAC Name: (2S)-1-[6-chloro-5-(4-ethenylpyridin-2-yl)pyridin-3-yl]oxy-3-phenylpropan-2-amine; 4-methylbenzenesulfonic acid Traditional Name: [(1S)-1-benzyl-2-[[6-chloro-5-(4-vinyl-2-pyridyl)-3-pyridyl]oxy]ethyl]amine; tosylic acid Formula: C35H36ClN3O7S2 MolecularWeight: 710.25924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C=CC1=CC(=NC=C1)C2=CC(=CN=C2Cl)OCC(CC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C=CC1=CC(=NC=C1)C2=CC(=CN=C2Cl)OC[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C21H20ClN3O.2C7H8O3S/c1-2-15-8-9-24-20(11-15)19-12-18(13-25-21(19)22)26-14-17(23)10-16-6-4-3-5-7-16;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-9,11-13,17H,1,10,14,23H2;2*2-5H,1H3,(H,8,9,10)/t17-;;/m0../s1