5-azanyl-2-[(4-ethynylphenyl)sulfonyl-(4-methoxyphenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(4-ethynylphenyl)sulfonyl-(4-methoxyphenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-(N-(4-ethynylphenyl)sulfonyl-4-methoxy-anilino)-5-oxo-pentanoic acid CAS Name: 5-amino-2-(N-(4-ethynylphenyl)sulfonyl-4-methoxyanilino)-5-oxopentanoic acid IUPAC Name: 5-amino-2-(N-(4-ethynylphenyl)sulfonyl-4-methoxyanilino)-5-oxopentanoic acid Traditional Name: 5-amino-2-(N-(4-ethynylphenyl)sulfonyl-4-methoxy-anilino)-5-keto-valeric acid Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(C(CCC(=O)N)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C#C

Isomeric SMILES

COC1=CC=C(C=C1)N(C(CCC(=O)N)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C20H20N2O6S/c1-3-14-4-10-17(11-5-14)29(26,27)22(15-6-8-16(28-2)9-7-15)18(20(24)25)12-13-19(21)23/h1,4-11,18H,12-13H2,2H3,(H2,21,23)(H,24,25)