1-(4-methylphenyl)sulfonyl-4-(6-pyrazol-1-ylpyrazin-2-yl)-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(6-pyrazol-1-ylpyrazin-2-yl)-1,4-diazepane Openeye Name: 1-(p-tolylsulfonyl)-4-(6-pyrazol-1-ylpyrazin-2-yl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-[6-(1-pyrazolyl)-2-pyrazinyl]-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(6-pyrazol-1-ylpyrazin-2-yl)-1,4-diazepane Traditional Name: 1-(6-pyrazol-1-ylpyrazin-2-yl)-4-tosyl-1,4-diazepane Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=CN=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=CN=C3)N4C=CC=N4

InChI

InChI=1S/C19H22N6O2S/c1-16-4-6-17(7-5-16)28(26,27)24-10-3-9-23(12-13-24)18-14-20-15-19(22-18)25-11-2-8-21-25/h2,4-8,11,14-15H,3,9-10,12-13H2,1H3