(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]methanone CAS Name: [2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]methanone Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-18-16-21(19(2)27(18)22-10-6-7-11-24-22)23(28)25-12-14-26(15-13-25)31(29,30)17-20-8-4-3-5-9-20/h3-11,16H,12-15,17H2,1-2H3