[4-(2,5-dimethylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-[4-(1-pyrrolidinylsulfonyl)-1H-pyrrol-2-yl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-(4-pyrrolidinosulfonyl-1H-pyrrol-2-yl)methanone Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=CN3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=CN3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O3S/c1-16-5-6-17(2)20(13-16)23-9-11-24(12-10-23)21(26)19-14-18(15-22-19)29(27,28)25-7-3-4-8-25/h5-6,13-15,22H,3-4,7-12H2,1-2H3