N-[3-(azepan-1-yl)propyl]-1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-(2-chloro-6-fluoro-benzyl)sulfonyl-isonipecotamide Formula: C22H33ClFN3O3S MolecularWeight: 474.032123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H33ClFN3O3S/c23-20-7-5-8-21(24)19(20)17-31(29,30)27-15-9-18(10-16-27)22(28)25-11-6-14-26-12-3-1-2-4-13-26/h5,7-8,18H,1-4,6,9-17H2,(H,25,28)