4-chloranyl-3-[(9,9-dimethyl-6-oxidanylidene-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(9,9-dimethyl-6-oxidanylidene-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]benzoic acid Openeye Name: 4-chloro-3-[(9,9-dimethyl-6-oxo-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]benzoic acid CAS Name: 4-chloro-3-[(9,9-dimethyl-6-oxo-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[(9,9-dimethyl-6-oxo-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]benzoic acid Traditional Name: 4-chloro-3-[(6-keto-9,9-dimethyl-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]benzoic acid Formula: C17H20ClNO6S MolecularWeight: 401.8618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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