[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone

Systemtic Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone Openeye Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone CAS Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone IUPAC Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone Traditional Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenylanthranil-5-yl)methanone Formula: C25H22FN3O4S MolecularWeight: 479.523283

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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(ON=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C25H22FN3O4S/c26-20-8-10-21(11-9-20)34(31,32)29-14-4-13-28(15-16-29)25(30)19-7-12-23-22(17-19)24(33-27-23)18-5-2-1-3-6-18/h1-3,5-12,17H,4,13-16H2