[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H23N3O6S2/c1-15(24)22-7-9-23(10-8-22)31(27,28)18-6-2-4-16(12-18)20(26)29-14-19(25)21-13-17-5-3-11-30-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,21,25)