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

Systemtic Name: 3-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]-3-fluoro-benzamide CAS Name: N-[6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-fluorobenzamide IUPAC Name: N-[6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-fluorobenzamide Traditional Name: N-[6-(4-besyl-1,4-diazepan-1-yl)-3-pyridyl]-3-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=C4)F

Isomeric SMILES

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

InChI

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