[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-1-(benzylcarbamoyl)propyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxobutan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [(1R)-1-(benzylcarbamoyl)propyl] ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C23H27ClN2O5S/c1-2-21(22(27)25-16-17-9-5-3-6-10-17)31-23(28)19-15-18(11-12-20(19)24)32(29,30)26-13-7-4-8-14-26/h3,5-6,9-12,15,21H,2,4,7-8,13-14,16H2,1H3,(H,25,27)/t21-/m1/s1