imidazo[1,2-a]pyrimidin-2-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: imidazo[1,2-a]pyrimidin-2-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: imidazo[1,2-a]pyrimidin-2-yl-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: 2-imidazo[1,2-a]pyrimidinyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: imidazo[1,2-a]pyrimidin-2-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: imidazo[1,2-a]pyrimidin-2-yl-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CN4C=CC=NC4=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CN4C=CC=NC4=N3

InChI

InChI=1S/C19H21N5O3S/c1-15-4-6-16(7-5-15)28(26,27)24-11-3-10-22(12-13-24)18(25)17-14-23-9-2-8-20-19(23)21-17/h2,4-9,14H,3,10-13H2,1H3