(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-methoxyphenyl)sulfonylnipecotic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C22H24ClNO7S MolecularWeight: 481.94646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C22H24ClNO7S/c1-28-17-4-6-18(7-5-17)32(26,27)24-8-2-3-16(13-24)22(25)31-14-15-11-19(23)21-20(12-15)29-9-10-30-21/h4-7,11-12,16H,2-3,8-10,13-14H2,1H3/t16-/m0/s1