(E)-4-[(1-methylsulfonylpiperidin-4-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(1-methylsulfonylpiperidin-4-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(1-methylsulfonyl-4-piperidyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(1-methylsulfonyl-4-piperidinyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(1-methylsulfonylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[(1-mesyl-4-piperidyl)amino]but-2-enoic acid Formula: C10H16N2O5S MolecularWeight: 276.30944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC(=O)C=CC(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C10H16N2O5S/c1-18(16,17)12-6-4-8(5-7-12)11-9(13)2-3-10(14)15/h2-3,8H,4-7H2,1H3,(H,11,13)(H,14,15)/b3-2+