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

Systemtic Name: [2-methyl-4-(4-methylphenyl)phenyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-methyl-4-(p-tolyl)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 [2-methyl-4-(4-methylphenyl)phenyl] ester IUPAC Name: [2-methyl-4-(4-methylphenyl)phenyl] 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-methyl-4-(p-tolyl)phenyl] ester Formula: C28H29NO6S MolecularWeight: 507.59796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5)C

InChI

InChI=1S/C28H29NO6S/c1-19-3-5-21(6-4-19)23-7-9-25(20(2)17-23)35-28(30)22-11-13-29(14-12-22)36(31,32)24-8-10-26-27(18-24)34-16-15-33-26/h3-10,17-18,22H,11-16H2,1-2H3