4-(4-tert-butylphenyl)sulfonyl-6-chloranyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-6-chloranyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO5S/c1-19(2,3)12-4-7-14(8-5-12)27(24,25)21-11-17(18(22)23)26-16-9-6-13(20)10-15(16)21/h4-10,17H,11H2,1-3H3,(H,22,23)