2-[(4-methoxyphenyl)methylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-methoxyphenyl)methylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(4-methoxyphenyl)methylamino]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-methoxyphenyl)methylamino]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(4-methoxyphenyl)methylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(p-anisylamino)-1-(4-tosylpiperazino)ethanone Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O4S/c1-17-3-9-20(10-4-17)29(26,27)24-13-11-23(12-14-24)21(25)16-22-15-18-5-7-19(28-2)8-6-18/h3-10,22H,11-16H2,1-2H3