4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid Openeye Name: 4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid CAS Name: 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid IUPAC Name: 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid Traditional Name: 4-tosyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCOC3=C2C=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCOC3=C2C=CC(=C3)C(=O)O

InChI

InChI=1S/C16H15NO5S/c1-11-2-5-13(6-3-11)23(20,21)17-8-9-22-15-10-12(16(18)19)4-7-14(15)17/h2-7,10H,8-9H2,1H3,(H,18,19)