4-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]sulfonylmorpholine Openeye Name: 4-[[6-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-3-pyridyl]sulfonyl]morpholine CAS Name: 4-[[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridinyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]sulfonylmorpholine Traditional Name: 4-[[6-(4-tosyl-1,4-diazepan-1-yl)-3-pyridyl]sulfonyl]morpholine Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H28N4O5S2/c1-18-3-5-19(6-4-18)31(26,27)24-10-2-9-23(11-12-24)21-8-7-20(17-22-21)32(28,29)25-13-15-30-16-14-25/h3-8,17H,2,9-16H2,1H3