2-chloranyl-5-[(10,10-dimethyl-7-oxidanylidene-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(10,10-dimethyl-7-oxidanylidene-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid Openeye Name: 2-chloro-5-[(10,10-dimethyl-7-oxo-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid CAS Name: 2-chloro-5-[(10,10-dimethyl-7-oxo-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-[(10,10-dimethyl-7-oxo-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid Traditional Name: 2-chloro-5-[(7-keto-10,10-dimethyl-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid Formula: C18H22ClNO6S MolecularWeight: 415.88838

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=O)C2(N1S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O)CCCCC2)C

Isomeric SMILES

CC1(COC(=O)C2(N1S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O)CCCCC2)C

InChI

InChI=1S/C18H22ClNO6S/c1-17(2)11-26-16(23)18(8-4-3-5-9-18)20(17)27(24,25)12-6-7-14(19)13(10-12)15(21)22/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,21,22)