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

Systemtic Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: [4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)methanone Formula: C18H27N3O6S2 MolecularWeight: 445.55348

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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)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O6S2/c1-27-16-7-6-15(14-17(16)29(25,26)21-9-3-4-10-21)18(22)19-8-5-11-20(13-12-19)28(2,23)24/h6-7,14H,3-5,8-13H2,1-2H3