2-[(4-methoxyphenyl)sulfonyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(benzylamino)-2-oxo-ethyl]-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-[2-oxo-2-[(phenylmethyl)amino]ethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(benzylamino)-2-oxoethyl]-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butyric acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-15(2)20(21(25)26)23(14-19(24)22-13-16-7-5-4-6-8-16)30(27,28)18-11-9-17(29-3)10-12-18/h4-12,15,20H,13-14H2,1-3H3,(H,22,24)(H,25,26)