3-cyanopropyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: 3-cyanopropyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: 3-cyanopropyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid 3-cyanopropyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC#N

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC#N

InChI

InChI=1S/C17H21N3O5S/c1-14(21)19-8-10-20(11-9-19)26(23,24)16-6-4-5-15(13-16)17(22)25-12-3-2-7-18/h4-6,13H,2-3,8-12H2,1H3