[4-chloranyl-2-(phenylmethyl)phenyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (2-benzyl-4-chloro-phenyl) 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotic acid (2-benzyl-4-chloro-phenyl) ester Formula: C27H26ClNO6S MolecularWeight: 528.01644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H26ClNO6S/c28-22-6-8-24(21(17-22)16-19-4-2-1-3-5-19)35-27(30)20-10-12-29(13-11-20)36(31,32)23-7-9-25-26(18-23)34-15-14-33-25/h1-9,17-18,20H,10-16H2