5-[(4-ethynylphenyl)sulfonylamino]-2-[methyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(4-ethynylphenyl)sulfonylamino]-2-[methyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-[benzyl(methyl)amino]-5-[(4-ethynylphenyl)sulfonylamino]-5-oxo-pentanoic acid CAS Name: 5-[(4-ethynylphenyl)sulfonylamino]-2-[methyl-(phenylmethyl)amino]-5-oxopentanoic acid IUPAC Name: 2-[benzyl(methyl)amino]-5-[(4-ethynylphenyl)sulfonylamino]-5-oxopentanoic acid Traditional Name: 2-[benzyl(methyl)amino]-5-[(4-ethynylphenyl)sulfonylamino]-5-keto-valeric acid Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(CCC(=O)NS(=O)(=O)C2=CC=C(C=C2)C#C)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C(CCC(=O)NS(=O)(=O)C2=CC=C(C=C2)C#C)C(=O)O

InChI

InChI=1S/C21H22N2O5S/c1-3-16-9-11-18(12-10-16)29(27,28)22-20(24)14-13-19(21(25)26)23(2)15-17-7-5-4-6-8-17/h1,4-12,19H,13-15H2,2H3,(H,22,24)(H,25,26)