methyl 3-[[1-[5-[[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]carbamoyl]-2-methyl-phenyl]-1,2,3-triazol-4-yl]carbonyl]benzoate

Systemtic Name: methyl 3-[[1-[5-[[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]carbamoyl]-2-methyl-phenyl]-1,2,3-triazol-4-yl]carbonyl]benzoate Openeye Name: methyl 3-[1-[5-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]carbamoyl]-2-methyl-phenyl]triazole-4-carbonyl]benzoate CAS Name: 3-[[1-[5-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyanilino]-oxomethyl]-2-methylphenyl]-4-triazolyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[1-[5-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-2-methylphenyl]triazole-4-carbonyl]benzoate Traditional Name: 3-[1-[5-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]carbamoyl]-2-methyl-phenyl]triazole-4-carbonyl]benzoic acid methyl ester Formula: C31H33N5O7S MolecularWeight: 619.68802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=CC(=C2)C(C)(C)C)NS(=O)(=O)C)OC)N3C=C(N=N3)C(=O)C4=CC(=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=CC(=C2)C(C)(C)C)NS(=O)(=O)C)OC)N3C=C(N=N3)C(=O)C4=CC(=CC=C4)C(=O)OC

InChI

InChI=1S/C31H33N5O7S/c1-18-11-12-20(29(38)32-23-15-22(31(2,3)4)16-24(28(23)42-5)34-44(7,40)41)14-26(18)36-17-25(33-35-36)27(37)19-9-8-10-21(13-19)30(39)43-6/h8-17,34H,1-7H3,(H,32,38)