N,N-diethyl-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C22H28FN3O5S2 MolecularWeight: 497.603223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O5S2/c1-3-25(4-2)33(30,31)21-8-5-7-18(17-21)22(27)24-13-6-14-26(16-15-24)32(28,29)20-11-9-19(23)10-12-20/h5,7-12,17H,3-4,6,13-16H2,1-2H3