6-(carboxymethyl)-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 6-(carboxymethyl)-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 6-(carboxymethyl)-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 6-(carboxymethyl)-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 6-(carboxymethyl)-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 6-(carboxymethyl)-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C18H17NO8S MolecularWeight: 407.39448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=C2C=C(C=C3)CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=C2C=C(C=C3)CC(=O)O)C(=O)O

InChI

InChI=1S/C18H17NO8S/c1-26-12-3-5-13(6-4-12)28(24,25)19-10-16(18(22)23)27-15-7-2-11(8-14(15)19)9-17(20)21/h2-8,16H,9-10H2,1H3,(H,20,21)(H,22,23)