2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-4-methyl-pentanoic acid Openeye Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-4-methyl-pentanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-4-methylpentanoic acid IUPAC Name: 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid Traditional Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-4-methyl-valeric acid Formula: C20H25NO5S MolecularWeight: 391.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CC(C(=O)O)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H25NO5S/c1-15(2)13-19(20(22)23)21(14-16-7-5-4-6-8-16)27(24,25)18-11-9-17(26-3)10-12-18/h4-12,15,19H,13-14H2,1-3H3,(H,22,23)