3-[[4-(2-dimethylaminoethylcarbamoylamino)-2-phenylmethoxy-phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid

Systemtic Name: 3-[[4-(2-dimethylaminoethylcarbamoylamino)-2-phenylmethoxy-phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid Openeye Name: 3-[[2-benzyloxy-4-(2-dimethylaminoethylcarbamoylamino)phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid CAS Name: 3-[[4-[[(2-dimethylaminoethylamino)-oxomethyl]amino]-2-phenylmethoxyphenyl]sulfonylamino]-4,4-diethoxybutanoic acid IUPAC Name: 3-[[4-(2-dimethylaminoethylcarbamoylamino)-2-phenylmethoxyphenyl]sulfonylamino]-4,4-diethoxybutanoic acid Traditional Name: 3-[[2-benzoxy-4-(2-dimethylaminoethylcarbamoylamino)phenyl]sulfonylamino]-4,4-diethoxy-butyric acid Formula: C26H38N4O8S MolecularWeight: 566.66692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)NC(=O)NCCN(C)C)OCC2=CC=CC=C2)OCC

Isomeric SMILES

CCOC(C(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)NC(=O)NCCN(C)C)OCC2=CC=CC=C2)OCC

InChI

InChI=1S/C26H38N4O8S/c1-5-36-25(37-6-2)21(17-24(31)32)29-39(34,35)23-13-12-20(28-26(33)27-14-15-30(3)4)16-22(23)38-18-19-10-8-7-9-11-19/h7-13,16,21,25,29H,5-6,14-15,17-18H2,1-4H3,(H,31,32)(H2,27,28,33)