1-[4-[4-(4-methyl-3-pyrrol-1-yl-phenyl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(4-methyl-3-pyrrol-1-yl-phenyl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(4-methyl-3-pyrrol-1-yl-benzoyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[[4-methyl-3-(1-pyrrolyl)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(4-methyl-3-pyrrol-1-ylbenzoyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(4-methyl-3-pyrrol-1-yl-benzoyl)piperazino]sulfonylphenyl]ethanone Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)N4C=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)N4C=CC=C4

InChI

InChI=1S/C24H25N3O4S/c1-18-5-6-21(17-23(18)25-11-3-4-12-25)24(29)26-13-15-27(16-14-26)32(30,31)22-9-7-20(8-10-22)19(2)28/h3-12,17H,13-16H2,1-2H3