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

Systemtic Name: [2-[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]-2-oxidanylidene-ethyl] (E)-pent-2-enoate Openeye Name: [2-[2-(dimethylamino)-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [2-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-2-oxoethyl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [2-[2-(dimethylamino)-5-piperidinosulfonyl-anilino]-2-keto-ethyl] ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-4-5-9-20(25)28-15-19(24)21-17-14-16(10-11-18(17)22(2)3)29(26,27)23-12-7-6-8-13-23/h5,9-11,14H,4,6-8,12-13,15H2,1-3H3,(H,21,24)/b9-5+