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

Systemtic Name: ethyl 4-[[3-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 4-[[[3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4-[[3-(4-methylpiperazino)sulfonylbenzoyl]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)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-3-29-21(26)16-7-9-18(10-8-16)22-20(25)17-5-4-6-19(15-17)30(27,28)24-13-11-23(2)12-14-24/h4-10,15H,3,11-14H2,1-2H3,(H,22,25)