4-(3-bromophenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one

Systemtic Name: 4-(3-bromophenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one Openeye Name: 4-(3-bromophenyl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one CAS Name: 4-(3-bromophenyl)sulfonyl-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinone IUPAC Name: 4-(3-bromophenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one Traditional Name: 4-(3-bromophenyl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one Formula: C21H25BrN4O3S MolecularWeight: 493.4172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC(=CC=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC(=CC=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C21H25BrN4O3S/c22-18-2-1-3-20(14-18)30(28,29)26-13-12-25(21(27)16-26)15-17-6-10-24(11-7-17)19-4-8-23-9-5-19/h1-5,8-9,14,17H,6-7,10-13,15-16H2