tert-butyl 3-aminocarbonyl-4-(4-methoxyphenyl)sulfonyl-2-[methyl(pyridin-3-yl)amino]benzoate

Systemtic Name: tert-butyl 3-aminocarbonyl-4-(4-methoxyphenyl)sulfonyl-2-[methyl(pyridin-3-yl)amino]benzoate Openeye Name: tert-butyl 3-carbamoyl-4-(4-methoxyphenyl)sulfonyl-2-[methyl(3-pyridyl)amino]benzoate CAS Name: 3-carbamoyl-4-(4-methoxyphenyl)sulfonyl-2-[methyl(3-pyridinyl)amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-carbamoyl-4-(4-methoxyphenyl)sulfonyl-2-[methyl(pyridin-3-yl)amino]benzoate Traditional Name: 3-carbamoyl-4-(4-methoxyphenyl)sulfonyl-2-[methyl(3-pyridyl)amino]benzoic acid tert-butyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)N)N(C)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)N)N(C)C3=CN=CC=C3

InChI

InChI=1S/C25H27N3O6S/c1-25(2,3)34-24(30)19-12-13-20(35(31,32)18-10-8-17(33-5)9-11-18)21(23(26)29)22(19)28(4)16-7-6-14-27-15-16/h6-15H,1-5H3,(H2,26,29)