(phenylmethyl) 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(phenylmethyl)amino]benzoate

Systemtic Name: (phenylmethyl) 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(phenylmethyl)amino]benzoate Openeye Name: benzyl 4-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]benzoate CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(phenylmethyl)amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]benzoate Traditional Name: 4-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]benzoic acid benzyl ester Formula: C29H25NO6S MolecularWeight: 515.5769

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H25NO6S/c31-29(36-21-23-9-5-2-6-10-23)24-11-13-25(14-12-24)30(20-22-7-3-1-4-8-22)37(32,33)26-15-16-27-28(19-26)35-18-17-34-27/h1-16,19H,17-18,20-21H2