1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylazepane

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylazepane Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylazepane CAS Name: 1-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]sulfonyl]azepane IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylazepane Traditional Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]sulfonylazepane Formula: C18H29N3O4S2 MolecularWeight: 415.57056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4S2/c1-16-7-8-18(15-17(16)2)26(22,23)19-11-13-21(14-12-19)27(24,25)20-9-5-3-4-6-10-20/h7-8,15H,3-6,9-14H2,1-2H3