N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-[3-(oxolan-2-ylmethyl)-2-propylsulfonyl-imidazol-4-yl]methanamine

Systemtic Name: N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-[3-(oxolan-2-ylmethyl)-2-propylsulfonyl-imidazol-4-yl]methanamine Openeye Name: N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-[2-propylsulfonyl-3-(tetrahydrofuran-2-ylmethyl)imidazol-4-yl]methanamine CAS Name: N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-[3-(2-oxolanylmethyl)-2-propylsulfonyl-4-imidazolyl]methanamine IUPAC Name: N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methanamine Traditional Name: 1,3-benzoxazol-2-ylmethyl-methyl-[[2-propylsulfonyl-3-(tetrahydrofurfuryl)imidazol-4-yl]methyl]amine Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)CN(C)CC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)CN(C)CC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H28N4O4S/c1-3-11-30(26,27)21-22-12-16(25(21)14-17-7-6-10-28-17)13-24(2)15-20-23-18-8-4-5-9-19(18)29-20/h4-5,8-9,12,17H,3,6-7,10-11,13-15H2,1-2H3