ethyl 4-[[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-anilino]-4-oxo-butanoate CAS Name: 4-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-anilino]butyric acid ethyl ester Formula: C18H28N3O6S+ MolecularWeight: 414.49642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC

InChI

InChI=1S/C18H27N3O6S/c1-4-27-18(23)8-7-17(22)19-15-13-14(5-6-16(15)26-3)28(24,25)21-11-9-20(2)10-12-21/h5-6,13H,4,7-12H2,1-3H3,(H,19,22)/p+1