1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-(5-propylpyrimidin-2-yl)-1,4-diazepane

Systemtic Name: 1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-(5-propylpyrimidin-2-yl)-1,4-diazepane Openeye Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-4-(5-propylpyrimidin-2-yl)-1,4-diazepane CAS Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(5-propyl-2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(5-propylpyrimidin-2-yl)-1,4-diazepane Traditional Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-4-(5-propylpyrimidin-2-yl)-1,4-diazepane Formula: C20H27ClN4O2S MolecularWeight: 422.97198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C)Cl)C

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C)Cl)C

InChI

InChI=1S/C20H27ClN4O2S/c1-4-6-17-13-22-20(23-14-17)24-7-5-8-25(10-9-24)28(26,27)19-12-15(2)18(21)11-16(19)3/h11-14H,4-10H2,1-3H3