butyl 4-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 4-[[[3-[(4-acetyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4-[[3-(4-acetylpiperazino)sulfonylbenzoyl]amino]benzoic acid butyl ester Formula: C24H29N3O6S MolecularWeight: 487.56856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C24H29N3O6S/c1-3-4-16-33-24(30)19-8-10-21(11-9-19)25-23(29)20-6-5-7-22(17-20)34(31,32)27-14-12-26(13-15-27)18(2)28/h5-11,17H,3-4,12-16H2,1-2H3,(H,25,29)