methyl (2R)-2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2R)-2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2R)-2-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2R)-2-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]-3-methyl-butyric acid methyl ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@H](C(=O)OC)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C18H25ClN2O5S/c1-12(2)16(18(23)26-3)20-17(22)14-11-13(7-8-15(14)19)27(24,25)21-9-5-4-6-10-21/h7-8,11-12,16H,4-6,9-10H2,1-3H3,(H,20,22)/t16-/m1/s1