ethyl 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(o-tolylmethyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(2-methylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(2-methylbenzyl)amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C26H33NO6S MolecularWeight: 487.60832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2C)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2C)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C26H33NO6S/c1-3-31-26(28)21-10-8-20(9-11-21)17-27(18-22-7-5-4-6-19(22)2)34(29,30)23-12-13-24-25(16-23)33-15-14-32-24/h4-7,12-13,16,20-21H,3,8-11,14-15,17-18H2,1-2H3