2-[tert-butyl-[[3-(methylsulfonylmethyl)-4-phenylmethoxy-phenyl]methyl]amino]-1-phenyl-ethanone hydrochloride

Systemtic Name: 2-[tert-butyl-[[3-(methylsulfonylmethyl)-4-phenylmethoxy-phenyl]methyl]amino]-1-phenyl-ethanone hydrochloride Openeye Name: 2-[[4-benzyloxy-3-(methylsulfonylmethyl)phenyl]methyl-tert-butyl-amino]-1-phenyl-ethanone hydrochloride CAS Name: 2-[tert-butyl-[[3-(methylsulfonylmethyl)-4-phenylmethoxyphenyl]methyl]amino]-1-phenylethanone hydrochloride IUPAC Name: 2-[tert-butyl-[[3-(methylsulfonylmethyl)-4-phenylmethoxyphenyl]methyl]amino]-1-phenylethanone hydrochloride Traditional Name: 2-[[4-benzoxy-3-(mesylmethyl)benzyl]-tert-butyl-amino]-1-phenyl-ethanone hydrochloride Formula: C28H34ClNO4S MolecularWeight: 516.09186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)CS(=O)(=O)C)CC(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CC(C)(C)N(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)CS(=O)(=O)C)CC(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C28H33NO4S.ClH/c1-28(2,3)29(19-26(30)24-13-9-6-10-14-24)18-23-15-16-27(25(17-23)21-34(4,31)32)33-20-22-11-7-5-8-12-22;/h5-17H,18-21H2,1-4H3;1H