2-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazin-1-yl]pyrazine

Systemtic Name: 2-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazin-1-yl]pyrazine Openeye Name: 2-[4-[[1-(p-tolylsulfonyl)pyrrol-2-yl]methyl]piperazin-1-yl]pyrazine CAS Name: 2-[4-[[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]methyl]-1-piperazinyl]pyrazine IUPAC Name: 2-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazin-1-yl]pyrazine Traditional Name: 2-[4-[(1-tosylpyrrol-2-yl)methyl]piperazino]pyrazine Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2CN3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2CN3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C20H23N5O2S/c1-17-4-6-19(7-5-17)28(26,27)25-10-2-3-18(25)16-23-11-13-24(14-12-23)20-15-21-8-9-22-20/h2-10,15H,11-14,16H2,1H3