methyl 7-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]heptanoate

Systemtic Name: methyl 7-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]heptanoate Openeye Name: methyl 7-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]heptanoate CAS Name: 7-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]heptanoate Traditional Name: 7-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]enanthic acid methyl ester Formula: C20H29ClN2O5S MolecularWeight: 444.97266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN2O5S/c1-28-19(24)9-5-2-3-6-12-22-20(25)17-15-16(10-11-18(17)21)29(26,27)23-13-7-4-8-14-23/h10-11,15H,2-9,12-14H2,1H3,(H,22,25)