(E)-2-[4-methylpentanoyl-[methylsulfonyl(phenyl)amino]amino]-5-pyridin-3-yl-pent-4-enoic acid

Systemtic Name: (E)-2-[4-methylpentanoyl-[methylsulfonyl(phenyl)amino]amino]-5-pyridin-3-yl-pent-4-enoic acid Openeye Name: (E)-2-[4-methylpentanoyl-(N-methylsulfonylanilino)amino]-5-(3-pyridyl)pent-4-enoic acid CAS Name: (E)-2-[(4-methyl-1-oxopentyl)-(N-methylsulfonylanilino)amino]-5-(3-pyridinyl)-4-pentenoic acid IUPAC Name: (E)-2-[4-methylpentanoyl-(N-methylsulfonylanilino)amino]-5-pyridin-3-ylpent-4-enoic acid Traditional Name: (E)-2-[(N-mesylanilino)-(4-methylpentanoyl)amino]-5-(3-pyridyl)pent-4-enoic acid Formula: C23H29N3O5S MolecularWeight: 459.55846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CCC(=O)N(C(C/C=C/C1=CN=CC=C1)C(=O)O)N(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O5S/c1-18(2)14-15-22(27)25(26(32(3,30)31)20-11-5-4-6-12-20)21(23(28)29)13-7-9-19-10-8-16-24-17-19/h4-12,16-18,21H,13-15H2,1-3H3,(H,28,29)/b9-7+