3-[[4-(2-dimethylaminoethylcarbamoylamino)-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-(2-dimethylaminoethylcarbamoylamino)-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-(2-dimethylaminoethylcarbamoylamino)-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-[[(2-dimethylaminoethylamino)-oxomethyl]amino]-2-[2-(5-quinolinyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-(2-dimethylaminoethylcarbamoylamino)-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-(2-dimethylaminoethylcarbamoylamino)-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C26H31N5O7S MolecularWeight: 557.61864

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=C3C=CC=NC3=CC=C2

Isomeric SMILES

CN(C)CCNC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=C3C=CC=NC3=CC=C2

InChI

InChI=1S/C26H31N5O7S/c1-31(2)13-12-28-26(35)29-19-8-9-24(39(36,37)30-20(17-32)16-25(33)34)23(15-19)38-14-10-18-5-3-7-22-21(18)6-4-11-27-22/h3-9,11,15,17,20,30H,10,12-14,16H2,1-2H3,(H,33,34)(H2,28,29,35)