1-[3-[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazino]sulfonylphenyl]ethanone Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C)C

InChI

InChI=1S/C25H27N3O4S/c1-18-7-8-19(2)28(18)23-11-9-21(10-12-23)25(30)26-13-15-27(16-14-26)33(31,32)24-6-4-5-22(17-24)20(3)29/h4-12,17H,13-16H2,1-3H3