2-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]-3-phenyl-propanoic acid CAS Name: 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonylamino]-3-phenyl-propionic acid Formula: C17H15ClN2O6S MolecularWeight: 410.8288

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl

Isomeric SMILES

C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl

InChI

InChI=1S/C17H15ClN2O6S/c18-11-7-12-14(26-9-16(21)19-12)8-15(11)27(24,25)20-13(17(22)23)6-10-4-2-1-3-5-10/h1-5,7-8,13,20H,6,9H2,(H,19,21)(H,22,23)