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

Systemtic Name: ethyl 4-[[(3-bromophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(3-bromophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(3-bromophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3-bromophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3-bromobenzyl)-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C25H30BrNO6S MolecularWeight: 552.4778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrNO6S/c1-2-31-25(28)20-8-6-18(7-9-20)16-27(17-19-4-3-5-21(26)14-19)34(29,30)22-10-11-23-24(15-22)33-13-12-32-23/h3-5,10-11,14-15,18,20H,2,6-9,12-13,16-17H2,1H3