2-azanyl-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid

Systemtic Name: 2-azanyl-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid Openeye Name: 2-amino-4-tert-butoxycarbonyl-5-(4-methoxyphenyl)sulfonyl-3-methyl-benzoic acid CAS Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]benzoic acid IUPAC Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid Traditional Name: 2-amino-4-tert-butoxycarbonyl-5-(4-methoxyphenyl)sulfonyl-3-methyl-benzoic acid Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O)N

Isomeric SMILES

CC1=C(C(=CC(=C1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O)N

InChI

InChI=1S/C20H23NO7S/c1-11-16(19(24)28-20(2,3)4)15(10-14(17(11)21)18(22)23)29(25,26)13-8-6-12(27-5)7-9-13/h6-10H,21H2,1-5H3,(H,22,23)