(4-bromanyl-3,5-dimethoxy-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (4-bromanyl-3,5-dimethoxy-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (4-bromo-3,5-dimethoxy-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (4-bromo-3,5-dimethoxyphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (4-bromo-3,5-dimethoxyphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-bromo-3,5-dimethoxy-phenyl)-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C15H21BrN2O5S MolecularWeight: 421.30664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H21BrN2O5S/c1-22-12-9-11(10-13(23-2)14(12)16)15(19)17-5-4-6-18(8-7-17)24(3,20)21/h9-10H,4-8H2,1-3H3