(2-azanyl-2-oxidanylidene-ethyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (2-amino-2-oxo-ethyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid (2-amino-2-keto-ethyl) ester Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N

InChI

InChI=1S/C19H21N3O5S/c20-18(23)14-27-19(24)15-5-4-8-17(13-15)28(25,26)22-11-9-21(10-12-22)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H2,20,23)