(phenylmethyl) 2-[(3-oxidanylidenepiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[(3-oxidanylidenepiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoate Openeye Name: benzyl 2-benzyl-3-(3-oxopiperazin-1-yl)sulfonyl-propanoate CAS Name: 2-[(3-oxo-1-piperazinyl)sulfonylmethyl]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzyl-3-(3-oxopiperazin-1-yl)sulfonylpropanoate Traditional Name: 2-benzyl-3-(3-ketopiperazino)sulfonyl-propionic acid benzyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c24-20-14-23(12-11-22-20)29(26,27)16-19(13-17-7-3-1-4-8-17)21(25)28-15-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,22,24)