1-[(4-fluorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-1,4-diazepane

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-1,4-diazepane Openeye Name: 1-[(4-fluorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)-1,4-diazepane CAS Name: 1-[(4-fluorophenyl)methyl]-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-1,4-diazepane Traditional Name: 1-(4-fluorobenzyl)-4-(5-pyrrolidinosulfonyl-2-pyridyl)-1,4-diazepane Formula: C21H27FN4O2S MolecularWeight: 418.528083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H27FN4O2S/c22-19-6-4-18(5-7-19)17-24-10-3-11-25(15-14-24)21-9-8-20(16-23-21)29(27,28)26-12-1-2-13-26/h4-9,16H,1-3,10-15,17H2