1-(3-methyl-4-propoxy-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-(3-methyl-4-propoxy-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1-(3-methyl-4-propoxy-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-methyl-4-propoxy-phenyl)sulfonylisonipecotate Formula: C16H22NO5S- MolecularWeight: 340.41458

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)[O-])C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)[O-])C

InChI

InChI=1S/C16H23NO5S/c1-3-10-22-15-5-4-14(11-12(15)2)23(20,21)17-8-6-13(7-9-17)16(18)19/h4-5,11,13H,3,6-10H2,1-2H3,(H,18,19)/p-1