3-methyl-1-methylsulfonyl-4-propoxy-2-pyridin-2-yl-2H-benzimidazole; (4-methylphenyl)methanamine

Systemtic Name: 3-methyl-1-methylsulfonyl-4-propoxy-2-pyridin-2-yl-2H-benzimidazole; (4-methylphenyl)methanamine Openeye Name: 3-methyl-1-methylsulfonyl-4-propoxy-2-(2-pyridyl)-2H-benzimidazole; p-tolylmethanamine CAS Name: 3-methyl-1-methylsulfonyl-4-propoxy-2-(2-pyridinyl)-2H-benzimidazole; (4-methylphenyl)methanamine IUPAC Name: 3-methyl-1-methylsulfonyl-4-propoxy-2-pyridin-2-yl-2H-benzimidazole; (4-methylphenyl)methanamine Traditional Name: 1-mesyl-3-methyl-4-propoxy-2-(2-pyridyl)-2H-benzimidazole; (4-methylbenzyl)amine Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC2=C1N(C(N2S(=O)(=O)C)C3=CC=CC=N3)C.CC1=CC=C(C=C1)CN

Isomeric SMILES

CCCOC1=CC=CC2=C1N(C(N2S(=O)(=O)C)C3=CC=CC=N3)C.CC1=CC=C(C=C1)CN

InChI

InChI=1S/C17H21N3O3S.C8H11N/c1-4-12-23-15-10-7-9-14-16(15)19(2)17(20(14)24(3,21)22)13-8-5-6-11-18-13;1-7-2-4-8(6-9)5-3-7/h5-11,17H,4,12H2,1-3H3;2-5H,6,9H2,1H3