methyl 4-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]butanoate

Systemtic Name: methyl 4-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]butanoate Openeye Name: methyl 4-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]butanoate CAS Name: 4-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]butanoate Traditional Name: 4-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]butyric acid methyl ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

COC(=O)CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

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