5-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonyl-8-methyl-quinoline

Systemtic Name: 5-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonyl-8-methyl-quinoline Openeye Name: 5-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonyl-8-methyl-quinoline CAS Name: 5-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]sulfonyl]-8-methylquinoline IUPAC Name: 5-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonyl-8-methylquinoline Traditional Name: 5-[4-(2,5-dimethylphenyl)sulfonylpiperazino]sulfonyl-8-methyl-quinoline Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C4C=CC=NC4=C(C=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C4C=CC=NC4=C(C=C3)C

InChI

InChI=1S/C22H25N3O4S2/c1-16-6-7-17(2)21(15-16)31(28,29)25-13-11-24(12-14-25)30(26,27)20-9-8-18(3)22-19(20)5-4-10-23-22/h4-10,15H,11-14H2,1-3H3