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

Systemtic Name: [2-[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]-2-oxidanylidene-ethyl] cyclobutanecarboxylate Openeye Name: [2-[2-(dimethylamino)-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [2-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-2-oxoethyl] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic 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:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3CCC3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3CCC3

InChI

InChI=1S/C20H29N3O5S/c1-22(2)18-10-9-16(29(26,27)23-11-4-3-5-12-23)13-17(18)21-19(24)14-28-20(25)15-7-6-8-15/h9-10,13,15H,3-8,11-12,14H2,1-2H3,(H,21,24)