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

Systemtic Name: 1-[2,4-dimethyl-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-(4-benzylsulfonylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone CAS Name: 1-[2,4-dimethyl-5-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-(4-benzylsulfonylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-(4-benzylsulfonylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c1-14-18(16(3)24)15(2)21-19(14)20(25)22-9-11-23(12-10-22)28(26,27)13-17-7-5-4-6-8-17/h4-8,21H,9-13H2,1-3H3