(Z)-but-2-enedioic acid; N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]ethanamide

Systemtic Name: (Z)-but-2-enedioic acid; N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]ethanamide Openeye Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]acetamide; maleic acid CAS Name: (Z)-2-butenedioic acid; N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonylphenyl]acetamide IUPAC Name: (Z)-but-2-enedioic acid; N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonylphenyl]acetamide Traditional Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]acetamide; maleic acid Formula: C23H26FN3O7S MolecularWeight: 507.531843

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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.C(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O3S.C4H4O4/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;5-3(6)1-2-4(7)8/h2,4-7,12-13,21H,3,8-11H2,1H3,(H,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1-