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

Systemtic Name: methyl 2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]-3-methyl-pentanoate CAS Name: 2-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3-methylpentanoate Traditional Name: 2-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]-3-methyl-valeric acid methyl ester Formula: C19H27ClN2O5S MolecularWeight: 430.94608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O5S/c1-4-13(2)17(19(24)27-3)21-18(23)14-8-9-15(20)16(12-14)28(25,26)22-10-6-5-7-11-22/h8-9,12-13,17H,4-7,10-11H2,1-3H3,(H,21,23)