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

Systemtic Name: N-[4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]ethanamide Openeye Name: N-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]acetamide CAS Name: N-[4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]acetamide Traditional Name: N-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]acetamide Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O4S/c1-15(25)22-18-7-3-16(4-8-18)20(26)23-11-2-12-24(14-13-23)29(27,28)19-9-5-17(21)6-10-19/h3-10H,2,11-14H2,1H3,(H,22,25)