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

Systemtic Name: ethyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 3-[[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]benzoic acid ethyl ester Formula: C21H26N3O5S+ MolecularWeight: 432.51324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

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