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

Systemtic Name: 2-[(2-methoxyphenyl)amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone CAS Name: 2-(2-methoxyanilino)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(o-anisidino)ethanone Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1NCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c1-27-19-10-6-5-9-18(19)21-15-20(24)22-11-13-23(14-12-22)28(25,26)16-17-7-3-2-4-8-17/h2-10,21H,11-16H2,1H3