6-(4-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine-7-carboxylic acid

Systemtic Name: 6-(4-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine-7-carboxylic acid Openeye Name: 6-(4-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine-7-carboxylic acid CAS Name: 6-(4-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine-7-carboxylic acid IUPAC Name: 6-(4-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine-7-carboxylic acid Traditional Name: 6-(4-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine-7-carboxylic acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCOC3=CC=CC(=C32)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCOC3=CC=CC(=C32)C(=O)O

InChI

InChI=1S/C18H19NO6S/c1-24-13-7-9-14(10-8-13)26(22,23)19-11-2-3-12-25-16-6-4-5-15(17(16)19)18(20)21/h4-10H,2-3,11-12H2,1H3,(H,20,21)