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

Systemtic Name: 5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-N-methyl-aniline Openeye Name: 5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-N-methyl-aniline CAS Name: 5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-N-methylaniline IUPAC Name: 5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-N-methylaniline Traditional Name: [5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-phenyl]-methyl-amine Formula: C18H22FN3O2S MolecularWeight: 363.449583

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN3O2S/c1-20-17-13-15(22-11-2-9-21-10-12-22)5-8-18(17)25(23,24)16-6-3-14(19)4-7-16/h3-8,13,20-21H,2,9-12H2,1H3