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

Systemtic Name: N-ethyl-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-4-methyl-benzenesulfonamide Openeye Name: N-ethyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-4-methyl-benzenesulfonamide CAS Name: N-ethyl-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-4-methylbenzenesulfonamide IUPAC Name: N-ethyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide Traditional Name: N-ethyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-4-methyl-benzenesulfonamide Formula: C21H26FN3O5S2 MolecularWeight: 483.576643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O5S2/c1-3-23-31(27,28)19-8-5-16(2)20(15-19)21(26)24-11-4-12-25(14-13-24)32(29,30)18-9-6-17(22)7-10-18/h5-10,15,23H,3-4,11-14H2,1-2H3