(2-azanyl-2-oxidanylidene-ethyl) 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (2-amino-2-oxo-ethyl) 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid (2-amino-2-keto-ethyl) ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N

InChI

InChI=1S/C20H23N3O5S/c21-19(24)15-28-20(25)17-7-4-8-18(13-17)29(26,27)23-11-9-22(10-12-23)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H2,21,24)