4-chloranyl-3-[(7-oxidanylidene-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(7-oxidanylidene-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid Openeye Name: 4-chloro-3-[(7-oxo-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid CAS Name: 4-chloro-3-[(7-oxo-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[(7-oxo-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid Traditional Name: 4-chloro-3-[(7-keto-8-oxa-11-azaspiro[5.5]undecan-11-yl)sulfonyl]benzoic acid Formula: C16H18ClNO6S MolecularWeight: 387.83522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO6S/c17-12-5-4-11(14(19)20)10-13(12)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)