1-butylsulfonyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane

Systemtic Name: 1-butylsulfonyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-butylsulfonyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-butylsulfonyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-butylsulfonyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-butylsulfonyl-4-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane Formula: C22H31ClN4O2S MolecularWeight: 451.02514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)Cl)C)C

Isomeric SMILES

CCCCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)Cl)C)C

InChI

InChI=1S/C22H31ClN4O2S/c1-4-5-15-30(28,29)27-12-6-11-26(13-14-27)22-21(17(2)24-18(3)25-22)16-19-7-9-20(23)10-8-19/h7-10H,4-6,11-16H2,1-3H3