[2-oxidanylidene-2-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]ethyl] (E)-but-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]ethyl] (E)-but-2-enoate Openeye Name: [2-[2-isopropoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-oxo-2-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyanilino]ethyl] ester IUPAC Name: [2-oxo-2-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)ethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-(2-isopropoxy-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC(C)C

Isomeric SMILES

C/C=C/C(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC(C)C

InChI

InChI=1S/C20H28N2O6S/c1-4-8-20(24)27-14-19(23)21-17-13-16(9-10-18(17)28-15(2)3)29(25,26)22-11-6-5-7-12-22/h4,8-10,13,15H,5-7,11-12,14H2,1-3H3,(H,21,23)/b8-4+