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

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-methyl-4-morpholin-4-ylsulfonyl-pyrrol-2-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-methyl-4-morpholinosulfonyl-pyrrol-2-yl)methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-[1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolyl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-methyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-(1-methyl-4-morpholinosulfonyl-pyrrol-2-yl)methanone Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H30N4O4S/c1-17-4-5-18(2)20(14-17)24-6-8-25(9-7-24)22(27)21-15-19(16-23(21)3)31(28,29)26-10-12-30-13-11-26/h4-5,14-16H,6-13H2,1-3H3