[2-[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

Systemtic Name: [2-[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Openeye Name: [2-[2-(dimethylamino)-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] (1S,2S)-2-methylcyclopropanecarboxylate CAS Name: (1S,2S)-2-methyl-1-cyclopropanecarboxylic acid [2-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-methylcyclopropanecarboxylic 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:

CC1CC1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N(C)C

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N(C)C

InChI

InChI=1S/C20H29N3O5S/c1-14-11-16(14)20(25)28-13-19(24)21-17-12-15(7-8-18(17)22(2)3)29(26,27)23-9-5-4-6-10-23/h7-8,12,14,16H,4-6,9-11,13H2,1-3H3,(H,21,24)/t14-,16-/m0/s1