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

Systemtic Name: 5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-aniline Openeye Name: 5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-aniline CAS Name: 5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonylaniline IUPAC Name: 5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonylaniline Traditional Name: [5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-phenyl]amine Formula: C17H20FN3O2S MolecularWeight: 349.423003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)F)N

Isomeric SMILES

C1CNCCN(C1)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C17H20FN3O2S/c18-13-2-5-15(6-3-13)24(22,23)17-7-4-14(12-16(17)19)21-10-1-8-20-9-11-21/h2-7,12,20H,1,8-11,19H2