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

Systemtic Name: ethyl 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(p-anisyl)amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C26H33NO7S MolecularWeight: 503.60772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C26H33NO7S/c1-3-32-26(28)21-8-4-19(5-9-21)17-27(18-20-6-10-22(31-2)11-7-20)35(29,30)23-12-13-24-25(16-23)34-15-14-33-24/h6-7,10-13,16,19,21H,3-5,8-9,14-15,17-18H2,1-2H3