[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [6-(3-bromophenyl)-2-methyl-pyridin-3-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [6-(3-bromophenyl)-2-methyl-3-pyridyl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone CAS Name: [6-(3-bromophenyl)-2-methyl-3-pyridinyl]-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]methanone IUPAC Name: [6-(3-bromophenyl)-2-methylpyridin-3-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [6-(3-bromophenyl)-2-methyl-3-pyridyl]-(4-pyrrolidinosulfonylpiperazino)methanone Formula: C21H25BrN4O3S MolecularWeight: 493.4172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25BrN4O3S/c1-16-19(7-8-20(23-16)17-5-4-6-18(22)15-17)21(27)24-11-13-26(14-12-24)30(28,29)25-9-2-3-10-25/h4-8,15H,2-3,9-14H2,1H3