(5-methoxy-2-oxidanyl-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-methoxy-2-oxidanyl-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (2-hydroxy-5-methoxy-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-hydroxy-5-methoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2-hydroxy-5-methoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (2-hydroxy-5-methoxy-phenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-15-4-7-17(8-5-15)28(25,26)22-11-3-10-21(12-13-22)20(24)18-14-16(27-2)6-9-19(18)23/h4-9,14,23H,3,10-13H2,1-2H3