1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-(4-tosylpiperazino)ethanone Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O3S/c1-22-8-10-24(11-9-22)33(31,32)29-18-16-28(17-19-29)25(30)21-27-13-5-12-26(14-15-27)20-23-6-3-2-4-7-23/h2-4,6-11H,5,12-21H2,1H3