1-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-[(4-fluorophenyl)methyl]-4-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(4-fluorobenzyl)-4-(4-pyrrolidinosulfonylphenyl)sulfonyl-1,4-diazepane Formula: C22H28FN3O4S2 MolecularWeight: 481.603823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O4S2/c23-20-6-4-19(5-7-20)18-24-12-3-15-26(17-16-24)32(29,30)22-10-8-21(9-11-22)31(27,28)25-13-1-2-14-25/h4-11H,1-3,12-18H2