N-[2-(azepan-1-yl)ethyl]-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-(2-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-(2-fluorophenyl)sulfonyl-isonipecotamide Formula: C20H30FN3O3S MolecularWeight: 411.533903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H30FN3O3S/c21-18-7-3-4-8-19(18)28(26,27)24-14-9-17(10-15-24)20(25)22-11-16-23-12-5-1-2-6-13-23/h3-4,7-8,17H,1-2,5-6,9-16H2,(H,22,25)