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

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)-N-propyl-aniline Openeye Name: 2-(4-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)-N-propyl-aniline CAS Name: 2-(4-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)-N-propylaniline IUPAC Name: 2-(4-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)-N-propylaniline Traditional Name: [2-(4-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-propyl-amine Formula: C21H28FN3O2S MolecularWeight: 405.529323

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=CC(=C1)N2CCCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCNC1=C(C=CC(=C1)N2CCCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H28FN3O2S/c1-3-11-23-20-16-18(25-13-4-12-24(2)14-15-25)7-10-21(20)28(26,27)19-8-5-17(22)6-9-19/h5-10,16,23H,3-4,11-15H2,1-2H3