ethyl 3-(2-phenethyl-1H-benzimidazol-4-yl)-3-(phenylsulfonylamino)propanoate hydrochloride

Systemtic Name: ethyl 3-(2-phenethyl-1H-benzimidazol-4-yl)-3-(phenylsulfonylamino)propanoate hydrochloride Openeye Name: ethyl 3-(benzenesulfonamido)-3-(2-phenethyl-1H-benzimidazol-4-yl)propanoate hydrochloride CAS Name: 3-(benzenesulfonamido)-3-(2-phenethyl-1H-benzimidazol-4-yl)propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-(benzenesulfonamido)-3-(2-phenethyl-1H-benzimidazol-4-yl)propanoate hydrochloride Traditional Name: 3-(benzenesulfonamido)-3-(2-phenethyl-1H-benzimidazol-4-yl)propionic acid ethyl ester hydrochloride Formula: C26H28ClN3O4S MolecularWeight: 514.03622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=C2C(=CC=C1)NC(=N2)CCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

CCOC(=O)CC(C1=C2C(=CC=C1)NC(=N2)CCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C26H27N3O4S.ClH/c1-2-33-25(30)18-23(29-34(31,32)20-12-7-4-8-13-20)21-14-9-15-22-26(21)28-24(27-22)17-16-19-10-5-3-6-11-19;/h3-15,23,29H,2,16-18H2,1H3,(H,27,28);1H