dimethyl 5-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H27NO7S MolecularWeight: 461.52798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CCCCCN2S(=O)(=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H27NO7S/c1-29-19-10-8-16(9-11-19)21-7-5-4-6-12-24(21)32(27,28)20-14-17(22(25)30-2)13-18(15-20)23(26)31-3/h8-11,13-15,21H,4-7,12H2,1-3H3/t21-/m0/s1