phenyl 6-chloranyl-10-(2-hydroxyphenyl)-10-azaspiro[4.5]decane-3-sulfonate

Systemtic Name: phenyl 6-chloranyl-10-(2-hydroxyphenyl)-10-azaspiro[4.5]decane-3-sulfonate Openeye Name: phenyl 6-chloro-10-(2-hydroxyphenyl)-10-azaspiro[4.5]decane-3-sulfonate CAS Name: 6-chloro-10-(2-hydroxyphenyl)-10-azaspiro[4.5]decane-3-sulfonic acid phenyl ester IUPAC Name: phenyl 6-chloro-10-(2-hydroxyphenyl)-10-azaspiro[4.5]decane-3-sulfonate Traditional Name: 6-chloro-10-(2-hydroxyphenyl)-10-azaspiro[4.5]decane-3-sulfonic acid phenyl ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2(CCC(C2)S(=O)(=O)OC3=CC=CC=C3)N(C1)C4=CC=CC=C4O)Cl

Isomeric SMILES

C1CC(C2(CCC(C2)S(=O)(=O)OC3=CC=CC=C3)N(C1)C4=CC=CC=C4O)Cl

InChI

InChI=1S/C21H24ClNO4S/c22-20-11-6-14-23(18-9-4-5-10-19(18)24)21(20)13-12-17(15-21)28(25,26)27-16-7-2-1-3-8-16/h1-5,7-10,17,20,24H,6,11-15H2