N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(3-fluorophenyl)methanesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(3-fluorophenyl)methanesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-(3-fluorophenyl)methanesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-1-(3-fluorophenyl)methanesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(3-fluorophenyl)methanesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-(3-fluorophenyl)methanesulfonamide Formula: C19H25FN2O2S2 MolecularWeight: 396.542403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNS(=O)(=O)CC2=CC(=CC=C2)F)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNS(=O)(=O)CC2=CC(=CC=C2)F)C3=CSC=C3

InChI

InChI=1S/C19H25FN2O2S2/c20-18-7-5-6-16(12-18)15-26(23,24)21-13-19(17-8-11-25-14-17)22-9-3-1-2-4-10-22/h5-8,11-12,14,19,21H,1-4,9-10,13,15H2