2-[ethyl-(phenylmethyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[ethyl-(phenylmethyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[benzyl(ethyl)amino]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[ethyl-(phenylmethyl)amino]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[benzyl(ethyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[benzyl(ethyl)amino]-1-(4-tosylpiperazino)ethanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-3-23(17-20-7-5-4-6-8-20)18-22(26)24-13-15-25(16-14-24)29(27,28)21-11-9-19(2)10-12-21/h4-12H,3,13-18H2,1-2H3