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

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-(2-naphthylsulfonyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(2-naphthalenylsulfonyl)-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-(2-naphthylsulfonyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)C

InChI

InChI=1S/C22H26N4O2S/c1-16-17(2)23-18(3)24-22(16)25-11-6-12-26(14-13-25)29(27,28)21-10-9-19-7-4-5-8-20(19)15-21/h4-5,7-10,15H,6,11-14H2,1-3H3