2-[(4-methoxycarbonylphenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-methoxycarbonylphenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[(4-methoxycarbonylphenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: 2-[(4-methoxycarbonylphenyl)methyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(4-methoxycarbonylphenyl)methyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(4-carbomethoxybenzyl)-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butyric acid Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)O)N(CC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25NO7S/c1-14(2)19(20(23)24)22(13-15-5-7-16(8-6-15)21(25)29-4)30(26,27)18-11-9-17(28-3)10-12-18/h5-12,14,19H,13H2,1-4H3,(H,23,24)