(3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-3-piperidinecarboxylate IUPAC Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonylnipecotate Formula: C13H15ClNO5S- MolecularWeight: 332.7799

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)[O-])Cl

InChI

InChI=1S/C13H16ClNO5S/c1-20-12-5-4-10(7-11(12)14)21(18,19)15-6-2-3-9(8-15)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)/p-1/t9-/m0/s1