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

Systemtic Name: 2-[6-[2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[6-[3-benzyloxy-3-oxo-2-(p-tolylsulfonylamino)propyl]-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-phenylmethoxypropyl]-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[6-[2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-phenylmethoxypropyl]-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[6-[3-benzoxy-3-keto-2-(tosylamino)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:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC3=C(C=C2)OC(C(=O)N3)CC(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC3=C(C=C2)OC(C(=O)N3)CC(=O)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O8S/c1-17-7-10-20(11-8-17)38(34,35)29-22(27(33)36-16-18-5-3-2-4-6-18)14-19-9-12-23-21(13-19)28-26(32)24(37-23)15-25(30)31/h2-13,22,24,29H,14-16H2,1H3,(H,28,32)(H,30,31)