[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone

Systemtic Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone Openeye Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone CAS Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone Traditional Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone Formula: C22H22FN3O3S MolecularWeight: 427.491783

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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=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C22H22FN3O3S/c23-19-6-10-21(11-7-19)30(28,29)26-15-3-14-25(16-17-26)22(27)18-4-8-20(9-5-18)24-12-1-2-13-24/h1-2,4-13H,3,14-17H2