2-diethylaminoethyl 3-(4-methylphenyl)sulfonyloxy-2-phenyl-propanoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 3-(4-methylphenyl)sulfonyloxy-2-phenyl-propanoate hydrochloride Openeye Name: 2-diethylaminoethyl 2-phenyl-3-(p-tolylsulfonyloxy)propanoate hydrochloride CAS Name: 3-(4-methylphenyl)sulfonyloxy-2-phenylpropanoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 3-(4-methylphenyl)sulfonyloxy-2-phenylpropanoate hydrochloride Traditional Name: 2-phenyl-3-tosyloxy-propionic acid 2-diethylaminoethyl ester hydrochloride Formula: C22H30ClNO5S MolecularWeight: 455.9953

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(COS(=O)(=O)C1=CC=C(C=C1)C)C2=CC=CC=C2.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C(COS(=O)(=O)C1=CC=C(C=C1)C)C2=CC=CC=C2.Cl

InChI

InChI=1S/C22H29NO5S.ClH/c1-4-23(5-2)15-16-27-22(24)21(19-9-7-6-8-10-19)17-28-29(25,26)20-13-11-18(3)12-14-20;/h6-14,21H,4-5,15-17H2,1-3H3;1H