N-(4-methylphenyl)sulfonyl-4-(5-propylpyrimidin-2-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-4-(5-propylpyrimidin-2-yl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-propylpyrimidin-2-yl)-N-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-methylphenyl)sulfonyl-4-(5-propyl-2-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-methylphenyl)sulfonyl-4-(5-propylpyrimidin-2-yl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-propylpyrimidin-2-yl)-N-tosyl-1,4-diazepane-1-carboxamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CCCN(CC2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CCCN(CC2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H27N5O3S/c1-3-5-17-14-21-19(22-15-17)24-10-4-11-25(13-12-24)20(26)23-29(27,28)18-8-6-16(2)7-9-18/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,23,26)