(5-chloranyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-chloranyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-chlorobenzofuran-2-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone CAS Name: (5-chloro-2-benzofuranyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-chloro-1-benzofuran-2-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-chlorobenzofuran-2-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Formula: C20H18ClFN2O4S MolecularWeight: 436.884323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C20H18ClFN2O4S/c21-15-2-7-18-14(12-15)13-19(28-18)20(25)23-8-1-9-24(11-10-23)29(26,27)17-5-3-16(22)4-6-17/h2-7,12-13H,1,8-11H2