N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]ethanamide; methanesulfonate

Systemtic Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]ethanamide; methanesulfonate Openeye Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]acetamide; methanesulfonate CAS Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonylphenyl]acetamide; methanesulfonate IUPAC Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonylphenyl]acetamide; methanesulfonate Traditional Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]acetamide mesylate Formula: C20H25FN3O6S2- MolecularWeight: 486.557403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC=CC(=C3)F.CS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC=CC(=C3)F.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H22FN3O3S.CH4O3S/c1-14(24)22-18-13-16(23-10-3-8-21-9-11-23)6-7-19(18)27(25,26)17-5-2-4-15(20)12-17;1-5(2,3)4/h2,4-7,12-13,21H,3,8-11H2,1H3,(H,22,24);1H3,(H,2,3,4)/p-1