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

Systemtic Name: 5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-N-methyl-aniline hydrochloride Openeye Name: 5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-N-methyl-aniline hydrochloride CAS Name: 5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-N-methylaniline hydrochloride IUPAC Name: 5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-N-methylaniline hydrochloride Traditional Name: [5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]-methyl-amine hydrochloride Formula: C18H23ClFN3O2S MolecularWeight: 399.910523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3O2S.ClH/c1-20-17-13-15(22-10-3-8-21-9-11-22)6-7-18(17)25(23,24)16-5-2-4-14(19)12-16;/h2,4-7,12-13,20-21H,3,8-11H2,1H3;1H