N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2-chloro-6-fluoro-phenyl)methyl]piperidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-chloro-6-fluoro-benzyl)isonipecotamide Formula: C25H31ClFN3O3S MolecularWeight: 508.048343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C25H31ClFN3O3S/c26-23-6-5-7-24(27)22(23)18-29-16-12-19(13-17-29)25(31)28-20-8-10-21(11-9-20)34(32,33)30-14-3-1-2-4-15-30/h5-11,19H,1-4,12-18H2,(H,28,31)