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

Systemtic Name: 5-azanyl-2-[(4-ethynylphenyl)sulfonyl-phenyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-(N-(4-ethynylphenyl)sulfonylanilino)-5-oxo-pentanoic acid CAS Name: 5-amino-2-(N-(4-ethynylphenyl)sulfonylanilino)-5-oxopentanoic acid IUPAC Name: 5-amino-2-(N-(4-ethynylphenyl)sulfonylanilino)-5-oxopentanoic acid Traditional Name: 5-amino-2-(N-(4-ethynylphenyl)sulfonylanilino)-5-keto-valeric acid Formula: C19H18N2O5S MolecularWeight: 386.42162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C(CCC(=O)N)C(=O)O

Isomeric SMILES

C#CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C(CCC(=O)N)C(=O)O

InChI

InChI=1S/C19H18N2O5S/c1-2-14-8-10-16(11-9-14)27(25,26)21(15-6-4-3-5-7-15)17(19(23)24)12-13-18(20)22/h1,3-11,17H,12-13H2,(H2,20,22)(H,23,24)