1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazinyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazino]ethanone Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

InChI

InChI=1S/C25H32N4O3S/c1-17(2)29-19(4)14-22(20(29)5)23(30)16-27-9-11-28(12-10-27)33(31,32)24-8-6-7-21-13-18(3)15-26-25(21)24/h6-8,13-15,17H,9-12,16H2,1-5H3