1-(4-methoxypyrimidin-2-yl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(4-methoxypyrimidin-2-yl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(4-methoxypyrimidin-2-yl)-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methoxy-2-pyrimidinyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(4-methoxypyrimidin-2-yl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(4-methoxypyrimidin-2-yl)-4-tosyl-1,4-diazepane Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=CC(=N3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=CC(=N3)OC

InChI

InChI=1S/C17H22N4O3S/c1-14-4-6-15(7-5-14)25(22,23)21-11-3-10-20(12-13-21)17-18-9-8-16(19-17)24-2/h4-9H,3,10-13H2,1-2H3