5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-N-propyl-aniline

Systemtic Name: 5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-N-propyl-aniline Openeye Name: 5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-N-propyl-aniline CAS Name: 5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-N-propylaniline IUPAC Name: 5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-N-propylaniline Traditional Name: [5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]-propyl-amine Formula: C20H26FN3O2S MolecularWeight: 391.502743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CCCNC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C20H26FN3O2S/c1-2-9-23-19-15-17(24-12-4-10-22-11-13-24)7-8-20(19)27(25,26)18-6-3-5-16(21)14-18/h3,5-8,14-15,22-23H,2,4,9-13H2,1H3