ethyl 4-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(4-besylpiperazino)acetyl]amino]benzoic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-2-29-21(26)17-8-10-18(11-9-17)22-20(25)16-23-12-14-24(15-13-23)30(27,28)19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3,(H,22,25)