4-[[4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid CAS Name: 4-[[oxo-[4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]amino]benzoic acid IUPAC Name: 4-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid Traditional Name: 4-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid Formula: C23H20N2O6S MolecularWeight: 452.4797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H20N2O6S/c26-22(24-18-12-10-17(11-13-18)23(27)28)21-14-25(19-8-4-5-9-20(19)31-21)32(29,30)15-16-6-2-1-3-7-16/h1-13,21H,14-15H2,(H,24,26)(H,27,28)