1-[2,4-dimethyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[2,4-dimethyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[2,4-dimethyl-5-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[2,4-dimethyl-5-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[2,4-dimethyl-5-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[2,4-dimethyl-5-(4-tosylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C20H25N3O4S/c1-13-5-7-17(8-6-13)28(26,27)23-11-9-22(10-12-23)20(25)19-14(2)18(16(4)24)15(3)21-19/h5-8,21H,9-12H2,1-4H3