N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-phenyl]ethanamide

Systemtic Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-phenyl]ethanamide Openeye Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-phenyl]acetamide CAS Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonylphenyl]acetamide IUPAC Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonylphenyl]acetamide Traditional Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-phenyl]acetamide Formula: C19H22FN3O3S MolecularWeight: 391.459683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN3O3S/c1-14(24)22-18-13-16(23-11-2-9-21-10-12-23)5-8-19(18)27(25,26)17-6-3-15(20)4-7-17/h3-8,13,21H,2,9-12H2,1H3,(H,22,24)