N-[3-(azepan-1-yl)propyl]-2-[(2-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(2-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[2-fluoro-N-(2-thienylsulfonyl)anilino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-[2-fluoro-N-(2-thienylsulfonyl)anilino]acetamide Formula: C21H28FN3O3S2 MolecularWeight: 453.593723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H28FN3O3S2/c22-18-9-3-4-10-19(18)25(30(27,28)21-11-7-16-29-21)17-20(26)23-12-8-15-24-13-5-1-2-6-14-24/h3-4,7,9-11,16H,1-2,5-6,8,12-15,17H2,(H,23,26)