2-chloranyl-5-[(9,9-dimethyl-6-oxidanylidene-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(9,9-dimethyl-6-oxidanylidene-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]benzoic acid Openeye Name: 2-chloro-5-[(9,9-dimethyl-6-oxo-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]benzoic acid CAS Name: 2-chloro-5-[(9,9-dimethyl-6-oxo-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-[(9,9-dimethyl-6-oxo-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]benzoic acid Traditional Name: 2-chloro-5-[(6-keto-9,9-dimethyl-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]benzoic acid Formula: C17H20ClNO6S MolecularWeight: 401.8618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=O)C2(N1S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O)CCCC2)C

Isomeric SMILES

CC1(COC(=O)C2(N1S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O)CCCC2)C

InChI

InChI=1S/C17H20ClNO6S/c1-16(2)10-25-15(22)17(7-3-4-8-17)19(16)26(23,24)11-5-6-13(18)12(9-11)14(20)21/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,21)