4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]amino]methyl]-N-methylsulfonyl-benzamide

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]amino]methyl]-N-methylsulfonyl-benzamide Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]amino]methyl]-N-methylsulfonyl-benzamide CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenyl-4-imidazolyl)methyl]amino]methyl]-N-methylsulfonylbenzamide IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-N-methylsulfonylbenzamide Traditional Name: 4-[[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl-piperonyl-amino]methyl]-N-mesyl-benzamide Formula: C37H38N4O5S MolecularWeight: 650.78642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN(CC4=CC=C(C=C4)C(=O)NS(=O)(=O)C)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCCN1C(=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN(CC4=CC=C(C=C4)C(=O)NS(=O)(=O)C)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C37H38N4O5S/c1-3-4-21-41-32(35(29-11-7-5-8-12-29)38-36(41)30-13-9-6-10-14-30)25-40(24-28-17-20-33-34(22-28)46-26-45-33)23-27-15-18-31(19-16-27)37(42)39-47(2,43)44/h5-20,22H,3-4,21,23-26H2,1-2H3,(H,39,42)