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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26FN3O2S/c1-2-10-23-19-15-17(24-13-3-11-22-12-14-24)6-9-20(19)27(25,26)18-7-4-16(21)5-8-18/h4-9,15,22-23H,2-3,10-14H2,1H3