3-azanyl-5-phenyl-1-phenylmethoxy-pentan-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 3-azanyl-5-phenyl-1-phenylmethoxy-pentan-2-one; 4-methylbenzenesulfonic acid Openeye Name: 3-amino-1-benzyloxy-5-phenyl-pentan-2-one; 4-methylbenzenesulfonic acid CAS Name: 3-amino-5-phenyl-1-phenylmethoxy-2-pentanone; 4-methylbenzenesulfonic acid IUPAC Name: 3-amino-5-phenyl-1-phenylmethoxypentan-2-one; 4-methylbenzenesulfonic acid Traditional Name: 3-amino-1-benzoxy-5-phenyl-pentan-2-one; tosylic acid Formula: C25H29NO5S MolecularWeight: 455.56646

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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(=O)COCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCC(C(=O)COCC2=CC=CC=C2)N

InChI

InChI=1S/C18H21NO2.C7H8O3S/c19-17(12-11-15-7-3-1-4-8-15)18(20)14-21-13-16-9-5-2-6-10-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,17H,11-14,19H2;2-5H,1H3,(H,8,9,10)