5-[2-methyl-5-(phenylmethyl)piperazin-1-yl]sulfonylisoquinoline

Systemtic Name: 5-[2-methyl-5-(phenylmethyl)piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-(5-benzyl-2-methyl-piperazin-1-yl)sulfonylisoquinoline CAS Name: 5-[[2-methyl-5-(phenylmethyl)-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-(5-benzyl-2-methylpiperazin-1-yl)sulfonylisoquinoline Traditional Name: 5-(5-benzyl-2-methyl-piperazino)sulfonylisoquinoline Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CNC(CN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c1-16-13-23-19(12-17-6-3-2-4-7-17)15-24(16)27(25,26)21-9-5-8-18-14-22-11-10-20(18)21/h2-11,14,16,19,23H,12-13,15H2,1H3