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

Systemtic Name: 1-[5-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-13-6-7-14(2)18(12-13)29(27,28)24-10-8-23(9-11-24)21(26)20-15(3)19(17(5)25)16(4)22-20/h6-7,12,22H,8-11H2,1-5H3