(2R)-1-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-2-(1-methylpyrrol-2-yl)azepane

Systemtic Name: (2R)-1-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-2-(1-methylpyrrol-2-yl)azepane Openeye Name: (2R)-1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-2-(1-methylpyrrol-2-yl)azepane CAS Name: (2R)-1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-(1-methyl-2-pyrrolyl)azepane IUPAC Name: (2R)-1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)azepane Traditional Name: (2R)-1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-2-(1-methylpyrrol-2-yl)azepane Formula: C19H25BrN2O4S MolecularWeight: 457.3818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2S(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2S(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br

InChI

InChI=1S/C19H25BrN2O4S/c1-21-10-7-9-15(21)16-8-5-4-6-11-22(16)27(23,24)19-13-18(26-3)17(25-2)12-14(19)20/h7,9-10,12-13,16H,4-6,8,11H2,1-3H3/t16-/m1/s1