[2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

Systemtic Name: [2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Openeye Name: [2-[4-chloro-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] (1S,2S)-2-methylcyclopropanecarboxylate CAS Name: (1S,2S)-2-methyl-1-cyclopropanecarboxylic acid [2-[4-chloro-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-methylcyclopropanecarboxylic acid [2-(4-chloro-3-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O5S/c1-12-9-14(12)18(23)26-11-17(22)20-13-5-6-15(19)16(10-13)27(24,25)21-7-3-2-4-8-21/h5-6,10,12,14H,2-4,7-9,11H2,1H3,(H,20,22)/t12-,14-/m0/s1