1-(phenylsulfonyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane

Systemtic Name: 1-(phenylsulfonyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-(benzenesulfonyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(benzenesulfonyl)-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-(benzenesulfonyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-besyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C18H24N4O2S/c1-14-15(2)19-16(3)20-18(14)21-10-7-11-22(13-12-21)25(23,24)17-8-5-4-6-9-17/h4-6,8-9H,7,10-13H2,1-3H3