methyl 2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]-2-methyl-propanoate CAS Name: 2-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]-2-methylpropanoate Traditional Name: 2-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]-2-methyl-propionic acid methyl ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C17H23ClN2O5S/c1-17(2,16(22)25-3)19-15(21)12-7-8-13(18)14(11-12)26(23,24)20-9-5-4-6-10-20/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,21)