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

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C22H31N3O3S/c1-6-25-18(4)14-21(19(25)5)22(26)15-23-9-11-24(12-10-23)29(27,28)20-8-7-16(2)17(3)13-20/h7-8,13-14H,6,9-12,15H2,1-5H3