1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane CAS Name: 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane Formula: C21H27FN2O4S2 MolecularWeight: 454.578483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CCN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CCN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN2O4S2/c1-17-4-5-18(2)21(16-17)29(25,26)15-14-23-10-3-11-24(13-12-23)30(27,28)20-8-6-19(22)7-9-20/h4-9,16H,3,10-15H2,1-2H3