4-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-[(2-morpholino-4-pyridyl)methyl]-4-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[[2-(4-morpholinyl)-4-pyridinyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-[(2-morpholino-4-pyridyl)methyl]-4-tosyl-1,4-diazepane-1-carboxamide Formula: C23H31N5O4S MolecularWeight: 473.58834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3=CC(=NC=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3=CC(=NC=C3)N4CCOCC4

InChI

InChI=1S/C23H31N5O4S/c1-19-3-5-21(6-4-19)33(30,31)28-10-2-9-27(11-12-28)23(29)25-18-20-7-8-24-22(17-20)26-13-15-32-16-14-26/h3-8,17H,2,9-16,18H2,1H3,(H,25,29)