(phenylmethyl) 2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]ethanoate Openeye Name: benzyl 2-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]acetate CAS Name: 2-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]acetate Traditional Name: 2-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]acetic acid benzyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O5S/c22-19-10-9-17(30(27,28)24-11-5-2-6-12-24)13-18(19)21(26)23-14-20(25)29-15-16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,23,26)