N-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-ethanamine

Systemtic Name: N-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-ethanamine Openeye Name: N-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-ethanamine CAS Name: N-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylethanamine IUPAC Name: N-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylethanamine Traditional Name: (3-butyl-2-esyl-imidazol-4-yl)methyl-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-methyl-amine Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)CN(C)C(C)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)CN(C)C(C)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H31N3O4S/c1-5-7-10-24-18(14-22-21(24)29(25,26)6-2)15-23(4)16(3)17-8-9-19-20(13-17)28-12-11-27-19/h8-9,13-14,16H,5-7,10-12,15H2,1-4H3