[(2R)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylpentanoate

Systemtic Name: [(2R)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylpentanoate Openeye Name: [(1R)-2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [(2R)-1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [(1R)-2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H29ClN2O5S MolecularWeight: 444.97266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)CCC(C)C

InChI

InChI=1S/C20H29ClN2O5S/c1-14(2)7-10-19(24)28-15(3)20(25)22-18-13-16(8-9-17(18)21)29(26,27)23-11-5-4-6-12-23/h8-9,13-15H,4-7,10-12H2,1-3H3,(H,22,25)/t15-/m1/s1