4-(4-chlorophenyl)sulfanyl-3-oxidanyl-piperidine-1-carboxylate

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-3-oxidanyl-piperidine-1-carboxylate Openeye Name: 4-(4-chlorophenyl)sulfanyl-3-hydroxy-piperidine-1-carboxylate CAS Name: 4-[(4-chlorophenyl)thio]-3-hydroxy-1-piperidinecarboxylate IUPAC Name: 4-(4-chlorophenyl)sulfanyl-3-hydroxypiperidine-1-carboxylate Traditional Name: 4-[(4-chlorophenyl)thio]-3-hydroxy-piperidine-1-carboxylate Formula: C12H13ClNO3S- MolecularWeight: 286.75452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1SC2=CC=C(C=C2)Cl)O)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1SC2=CC=C(C=C2)Cl)O)C(=O)[O-]

InChI

InChI=1S/C12H14ClNO3S/c13-8-1-3-9(4-2-8)18-11-5-6-14(12(16)17)7-10(11)15/h1-4,10-11,15H,5-7H2,(H,16,17)/p-1