2-[(4-methoxyphenyl)sulfonyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]-2-methyl-butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]-2-methyl-butanoic acid Openeye Name: 2-[[2-(benzylamino)-2-oxo-ethyl]-(4-methoxyphenyl)sulfonyl-amino]-2-methyl-butanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-[2-oxo-2-[(phenylmethyl)amino]ethyl]amino]-2-methylbutanoic acid IUPAC Name: 2-[[2-(benzylamino)-2-oxoethyl]-(4-methoxyphenyl)sulfonylamino]-2-methylbutanoic acid Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]-(4-methoxyphenyl)sulfonyl-amino]-2-methyl-butyric acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)N(CC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C)(C(=O)O)N(CC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H26N2O6S/c1-4-21(2,20(25)26)23(15-19(24)22-14-16-8-6-5-7-9-16)30(27,28)18-12-10-17(29-3)11-13-18/h5-13H,4,14-15H2,1-3H3,(H,22,24)(H,25,26)