(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (4-methoxy-3-morpholinosulfonyl-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: [4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(4-methoxy-3-morpholinosulfonyl-phenyl)methanone Formula: C18H27N3O7S2 MolecularWeight: 461.55288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H27N3O7S2/c1-27-16-5-4-15(14-17(16)30(25,26)21-10-12-28-13-11-21)18(22)19-6-3-7-20(9-8-19)29(2,23)24/h4-5,14H,3,6-13H2,1-2H3