1-(3-butoxy-4-chloranyl-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-(3-butoxy-4-chloranyl-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1-(3-butoxy-4-chloro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-butoxy-4-chlorophenyl)sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-(3-butoxy-4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-butoxy-4-chloro-phenyl)sulfonylisonipecotate Formula: C16H21ClNO5S- MolecularWeight: 374.85964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)[O-])Cl

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)[O-])Cl

InChI

InChI=1S/C16H22ClNO5S/c1-2-3-10-23-15-11-13(4-5-14(15)17)24(21,22)18-8-6-12(7-9-18)16(19)20/h4-5,11-12H,2-3,6-10H2,1H3,(H,19,20)/p-1