N-(4-butylphenyl)-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-butylphenyl)-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-butylphenyl)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(4-butylphenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-butylphenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-butylphenyl)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-nipecotamide Formula: C23H29FN2O4S MolecularWeight: 448.550763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C23H29FN2O4S/c1-3-4-6-17-8-11-20(12-9-17)25-23(27)18-7-5-14-26(16-18)31(28,29)22-15-19(24)10-13-21(22)30-2/h8-13,15,18H,3-7,14,16H2,1-2H3,(H,25,27)