2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4-ethoxy-3-methoxy-benzyl)-ethyl-amino]-1-(4-tosylpiperazino)ethanone Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O5S/c1-5-26(18-21-9-12-23(33-6-2)24(17-21)32-4)19-25(29)27-13-15-28(16-14-27)34(30,31)22-10-7-20(3)8-11-22/h7-12,17H,5-6,13-16,18-19H2,1-4H3