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

Systemtic Name: [(2R)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-phenylbutanoate Openeye Name: [(1R)-2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic 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] (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid [(1R)-2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C24H29ClN2O5S MolecularWeight: 493.01546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)O[C@H](C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C24H29ClN2O5S/c1-3-20(18-10-6-4-7-11-18)24(29)32-17(2)23(28)26-22-16-19(12-13-21(22)25)33(30,31)27-14-8-5-9-15-27/h4,6-7,10-13,16-17,20H,3,5,8-9,14-15H2,1-2H3,(H,26,28)/t17-,20-/m1/s1