2-fluoranyl-N-[6-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[6-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: N-[6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-fluoro-benzamide CAS Name: N-[6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-fluorobenzamide IUPAC Name: N-[6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-fluorobenzamide Traditional Name: N-[6-(4-besyl-1,4-diazepan-1-yl)-3-pyridyl]-2-fluoro-benzamide Formula: C23H23FN4O3S MolecularWeight: 454.517123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NC=C(C=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NC=C(C=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C23H23FN4O3S/c24-21-10-5-4-9-20(21)23(29)26-18-11-12-22(25-17-18)27-13-6-14-28(16-15-27)32(30,31)19-7-2-1-3-8-19/h1-5,7-12,17H,6,13-16H2,(H,26,29)