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

Systemtic Name: 2-chloranyl-5-[(7-oxidanylidene-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid Openeye Name: 2-chloro-5-[(7-oxo-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid CAS Name: 2-chloro-5-[(7-oxo-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-[(7-oxo-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid Traditional Name: 2-chloro-5-[(7-keto-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid Formula: C16H18ClNO6S MolecularWeight: 387.83522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=O)OCCN2S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CCC2(CC1)C(=O)OCCN2S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H18ClNO6S/c17-13-5-4-11(10-12(13)14(19)20)25(22,23)18-8-9-24-15(21)16(18)6-2-1-3-7-16/h4-5,10H,1-3,6-9H2,(H,19,20)