4-(4-propylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(4-propylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-propylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-propylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-propylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-propylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H19NO5S/c1-2-5-13-8-10-14(11-9-13)25(22,23)19-12-17(18(20)21)24-16-7-4-3-6-15(16)19/h3-4,6-11,17H,2,5,12H2,1H3,(H,20,21)