4-[[4-(1-methyl-4-morpholin-4-ylsulfonyl-pyrrol-2-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1-methyl-4-morpholin-4-ylsulfonyl-pyrrol-2-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-methyl-4-morpholinosulfonyl-pyrrole-2-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-methyl-4-morpholinosulfonyl-pyrrole-2-carbonyl)piperazino]methyl]benzonitrile Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H27N5O4S/c1-24-17-20(32(29,30)27-10-12-31-13-11-27)14-21(24)22(28)26-8-6-25(7-9-26)16-19-4-2-18(15-23)3-5-19/h2-5,14,17H,6-13,16H2,1H3