3-[3-(diethylaminomethyl)-4-oxidanyl-phenyl]-3-(4-methylphenyl)sulfonyl-1-phenyl-propan-1-one hydrochloride

Systemtic Name: 3-[3-(diethylaminomethyl)-4-oxidanyl-phenyl]-3-(4-methylphenyl)sulfonyl-1-phenyl-propan-1-one hydrochloride Openeye Name: 3-[3-(diethylaminomethyl)-4-hydroxy-phenyl]-1-phenyl-3-(p-tolylsulfonyl)propan-1-one hydrochloride CAS Name: 3-[3-(diethylaminomethyl)-4-hydroxyphenyl]-3-(4-methylphenyl)sulfonyl-1-phenyl-1-propanone hydrochloride IUPAC Name: 3-[3-(diethylaminomethyl)-4-hydroxyphenyl]-3-(4-methylphenyl)sulfonyl-1-phenylpropan-1-one hydrochloride Traditional Name: 3-[3-(diethylaminomethyl)-4-hydroxy-phenyl]-1-phenyl-3-tosyl-propan-1-one hydrochloride Formula: C27H32ClNO4S MolecularWeight: 502.06528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC(=C1)C(CC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)O.Cl

Isomeric SMILES

CCN(CC)CC1=C(C=CC(=C1)C(CC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)O.Cl

InChI

InChI=1S/C27H31NO4S.ClH/c1-4-28(5-2)19-23-17-22(13-16-25(23)29)27(18-26(30)21-9-7-6-8-10-21)33(31,32)24-14-11-20(3)12-15-24;/h6-17,27,29H,4-5,18-19H2,1-3H3;1H