2-[3-oxidanylidene-6-[3-oxidanylidene-3-phenylmethoxy-2-[(phenylmethyl)sulfonylamino]propyl]-4H-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-6-[3-oxidanylidene-3-phenylmethoxy-2-[(phenylmethyl)sulfonylamino]propyl]-4H-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[6-[3-benzyloxy-2-(benzylsulfonylamino)-3-oxo-propyl]-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[3-oxo-6-[3-oxo-3-phenylmethoxy-2-[(phenylmethyl)sulfonylamino]propyl]-4H-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[6-[2-(benzylsulfonylamino)-3-oxo-3-phenylmethoxypropyl]-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[6-[3-benzoxy-2-(benzylsulfonylamino)-3-keto-propyl]-3-keto-4H-1,4-benzoxazin-2-yl]acetic acid Formula: C27H26N2O8S MolecularWeight: 538.56894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CC3=C(C=C2)OC(C(=O)N3)CC(=O)O)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CC3=C(C=C2)OC(C(=O)N3)CC(=O)O)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O8S/c30-25(31)15-24-26(32)28-21-13-20(11-12-23(21)37-24)14-22(27(33)36-16-18-7-3-1-4-8-18)29-38(34,35)17-19-9-5-2-6-10-19/h1-13,22,24,29H,14-17H2,(H,28,32)(H,30,31)