propyl 4-[[3-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[3-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: propyl 4-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 4-[[[3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4-[[3-(4-methylpiperazino)sulfonylbenzoyl]amino]benzoic acid propyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-3-15-30-22(27)17-7-9-19(10-8-17)23-21(26)18-5-4-6-20(16-18)31(28,29)25-13-11-24(2)12-14-25/h4-10,16H,3,11-15H2,1-2H3,(H,23,26)