2-[(2-methoxy-5-methyl-phenyl)amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(2-methoxy-5-methyl-phenyl)amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxy-5-methyl-anilino)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2-methoxy-5-methylanilino)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxy-5-methylanilino)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(2-methoxy-5-methyl-anilino)ethanone Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-16-8-9-19(27-2)18(14-16)21-15-20(24)22-10-12-23(13-11-22)28(25,26)17-6-4-3-5-7-17/h3-9,14,21H,10-13,15H2,1-2H3