2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]ethanone CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 1-(4-phenylpiperazino)-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)ethanone Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3S/c1-21-8-10-23(11-9-21)32(30,31)28-13-5-12-25(14-19-28)20-24(29)27-17-15-26(16-18-27)22-6-3-2-4-7-22/h2-4,6-11H,5,12-20H2,1H3/p+1