1-[4-[4-(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carbonyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carbonyl)piperazino]phenyl]ethanone Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H28N4O4S/c1-17(27)18-5-7-19(8-6-18)24-11-13-25(14-12-24)22(28)21-15-20(16-23(21)2)31(29,30)26-9-3-4-10-26/h5-8,15-16H,3-4,9-14H2,1-2H3