1-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]cinnolin-4-one

Systemtic Name: 1-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]cinnolin-4-one Openeye Name: 1-[(4-benzylsulfonylpiperazin-1-yl)methyl]cinnolin-4-one CAS Name: 1-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-4-cinnolinone IUPAC Name: 1-[(4-benzylsulfonylpiperazin-1-yl)methyl]cinnolin-4-one Traditional Name: 1-[(4-benzylsulfonylpiperazino)methyl]cinnolin-4-one Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=CC=CC=C3C(=O)C=N2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CN2C3=CC=CC=C3C(=O)C=N2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O3S/c25-20-14-21-24(19-9-5-4-8-18(19)20)16-22-10-12-23(13-11-22)28(26,27)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2