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

Systemtic Name: [2-[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]-2-oxidanylidene-ethyl] propanoate Openeye Name: [2-[2-(dimethylamino)-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] propanoate CAS Name: propanoic acid [2-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-2-oxoethyl] propanoate Traditional Name: propionic acid [2-[2-(dimethylamino)-5-piperidinosulfonyl-anilino]-2-keto-ethyl] ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-4-18(23)26-13-17(22)19-15-12-14(8-9-16(15)20(2)3)27(24,25)21-10-6-5-7-11-21/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,19,22)