[2-[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]-2-oxidanylidene-ethyl] butanoate

Systemtic Name: [2-[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-[2-(dimethylamino)-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-2-oxoethyl] butanoate Traditional Name: butyric acid [2-[2-(dimethylamino)-5-piperidinosulfonyl-anilino]-2-keto-ethyl] ester Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S/c1-4-8-19(24)27-14-18(23)20-16-13-15(9-10-17(16)21(2)3)28(25,26)22-11-6-5-7-12-22/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,20,23)