[6-[[tert-butyl-(2,5-dimethylphenyl)carbonyl-amino]carbamoyl]-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [6-[[tert-butyl-(2,5-dimethylphenyl)carbonyl-amino]carbamoyl]-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-[[tert-butyl-(2,5-dimethylbenzoyl)amino]carbamoyl]-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-[[2-tert-butyl-2-[(2,5-dimethylphenyl)-oxomethyl]hydrazinyl]-oxomethyl]-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [6-[[tert-butyl-(2,5-dimethylbenzoyl)amino]carbamoyl]-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-[[tert-butyl-(2,5-dimethylbenzoyl)amino]carbamoyl]-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C31H36N2O7S MolecularWeight: 580.69174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C(=C(C=C3)C(=O)NN(C(=O)C4=C(C=CC(=C4)C)C)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C(=C(C=C3)C(=O)NN(C(=O)C4=C(C=CC(=C4)C)C)C(C)(C)C)C

InChI

InChI=1S/C31H36N2O7S/c1-19-9-12-24(13-10-19)41(36,37)39-18-23-17-38-27-15-14-25(22(4)28(27)40-23)29(34)32-33(31(5,6)7)30(35)26-16-20(2)8-11-21(26)3/h8-16,23H,17-18H2,1-7H3,(H,32,34)