1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane

Systemtic Name: 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane Openeye Name: 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane CAS Name: 1-[4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]phenyl]sulfonylazepane IUPAC Name: 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane Traditional Name: 1-[4-[4-(2,3-dimethylphenyl)piperazino]sulfonylphenyl]sulfonylazepane Formula: C24H33N3O4S2 MolecularWeight: 491.66652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C24H33N3O4S2/c1-20-8-7-9-24(21(20)2)25-16-18-27(19-17-25)33(30,31)23-12-10-22(11-13-23)32(28,29)26-14-5-3-4-6-15-26/h7-13H,3-6,14-19H2,1-2H3