[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-pyrrol-1-ylphenyl)methanone

Systemtic Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-pyrrol-1-ylphenyl)methanone Openeye Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-pyrrol-1-ylphenyl)methanone CAS Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[3-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-pyrrol-1-ylphenyl)methanone Traditional Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-pyrrol-1-ylphenyl)methanone Formula: C22H22FN3O3S MolecularWeight: 427.491783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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