N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: N-[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-oxoethyl]-2-fluorobenzamide IUPAC Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide Traditional Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazino]-2-keto-ethyl]-2-fluoro-benzamide Formula: C19H27FN4O4S MolecularWeight: 426.505483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H27FN4O4S/c20-17-8-4-3-7-16(17)19(26)21-15-18(25)22-11-13-24(14-12-22)29(27,28)23-9-5-1-2-6-10-23/h3-4,7-8H,1-2,5-6,9-15H2,(H,21,26)