1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylazepane

Systemtic Name: 1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylazepane Openeye Name: 1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylazepane CAS Name: 1-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]sulfonyl]azepane IUPAC Name: 1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylazepane Traditional Name: 1-(4-mesitylsulfonylpiperazino)sulfonylazepane Formula: C19H31N3O4S2 MolecularWeight: 429.59714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C19H31N3O4S2/c1-16-14-17(2)19(18(3)15-16)27(23,24)20-10-12-22(13-11-20)28(25,26)21-8-6-4-5-7-9-21/h14-15H,4-13H2,1-3H3