6-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]quinoline

Systemtic Name: 6-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]quinoline Openeye Name: 6-methyl-5-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]quinoline CAS Name: 6-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]quinoline IUPAC Name: 6-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]quinoline Traditional Name: 6-methyl-5-[(4-tosyl-1,4-diazepan-1-yl)sulfonyl]quinoline Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=CC4=C3C=CC=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=CC4=C3C=CC=N4)C

InChI

InChI=1S/C22H25N3O4S2/c1-17-6-9-19(10-7-17)30(26,27)24-13-4-14-25(16-15-24)31(28,29)22-18(2)8-11-21-20(22)5-3-12-23-21/h3,5-12H,4,13-16H2,1-2H3