[2-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-pent-2-enoate

Systemtic Name: [2-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-pent-2-enoate Openeye Name: [2-[2-ethoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [2-[2-ethoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [2-(2-ethoxy-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O6S/c1-3-5-9-20(24)28-15-19(23)21-17-14-16(10-11-18(17)27-4-2)29(25,26)22-12-7-6-8-13-22/h5,9-11,14H,3-4,6-8,12-13,15H2,1-2H3,(H,21,23)/b9-5+