(phenylmethyl) 4-[6-[2-(2-dimethylaminoethylamino)-4-methylsulfonyl-phenyl]-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[6-[2-(2-dimethylaminoethylamino)-4-methylsulfonyl-phenyl]-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[6-[2-(2-dimethylaminoethylamino)-4-methylsulfonyl-phenyl]-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylate CAS Name: 4-[6-[2-(2-dimethylaminoethylamino)-4-methylsulfonylphenyl]-4H-1,3-benzodioxin-2-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[6-[2-(2-dimethylaminoethylamino)-4-methylsulfonylphenyl]-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[6-[2-(2-dimethylaminoethylamino)-4-mesyl-phenyl]-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylic acid benzyl ester Formula: C32H39N3O6S MolecularWeight: 593.73356

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C(C=CC(=C1)S(=O)(=O)C)C2=CC3=C(C=C2)OC(OC3)C4CCN(CC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CN(C)CCNC1=C(C=CC(=C1)S(=O)(=O)C)C2=CC3=C(C=C2)OC(OC3)C4CCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H39N3O6S/c1-34(2)18-15-33-29-20-27(42(3,37)38)10-11-28(29)25-9-12-30-26(19-25)22-39-31(41-30)24-13-16-35(17-14-24)32(36)40-21-23-7-5-4-6-8-23/h4-12,19-20,24,31,33H,13-18,21-22H2,1-3H3