4-[(5-imidazol-1-yl-2-methyl-phenyl)-[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]oxy-methyl]-3,5-dimethyl-benzoate

Systemtic Name: 4-[(5-imidazol-1-yl-2-methyl-phenyl)-[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]oxy-methyl]-3,5-dimethyl-benzoate Openeye Name: 4-[(5-imidazol-1-yl-2-methyl-phenyl)-[3-phenyl-2-(p-tolylsulfonylamino)propanoyl]oxy-methyl]-3,5-dimethyl-benzoate CAS Name: 4-[[5-(1-imidazolyl)-2-methylphenyl]-[2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropoxy]methyl]-3,5-dimethylbenzoate IUPAC Name: 4-[(5-imidazol-1-yl-2-methylphenyl)-[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]oxymethyl]-3,5-dimethylbenzoate Traditional Name: 4-[(5-imidazol-1-yl-2-methyl-phenyl)-[3-phenyl-2-(tosylamino)propanoyl]oxy-methyl]-3,5-dimethyl-benzoate Formula: C36H34N3O6S- MolecularWeight: 636.73666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC(C3=C(C=CC(=C3)N4C=CN=C4)C)C5=C(C=C(C=C5C)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC(C3=C(C=CC(=C3)N4C=CN=C4)C)C5=C(C=C(C=C5C)C(=O)[O-])C

InChI

InChI=1S/C36H35N3O6S/c1-23-10-14-30(15-11-23)46(43,44)38-32(20-27-8-6-5-7-9-27)36(42)45-34(33-25(3)18-28(35(40)41)19-26(33)4)31-21-29(13-12-24(31)2)39-17-16-37-22-39/h5-19,21-22,32,34,38H,20H2,1-4H3,(H,40,41)/p-1