N-(6-azanylhexyl)-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-(6-azanylhexyl)-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanamide Openeye Name: N-(6-aminohexyl)-2-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetamide CAS Name: N-(6-aminohexyl)-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide IUPAC Name: N-(6-aminohexyl)-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide Traditional Name: N-(6-aminohexyl)-2-(2-tosyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)NCCCCCCN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)NCCCCCCN

InChI

InChI=1S/C24H33N3O3S/c1-19-10-12-21(13-11-19)31(29,30)27-17-14-20-8-4-5-9-22(20)23(27)18-24(28)26-16-7-3-2-6-15-25/h4-5,8-13,23H,2-3,6-7,14-18,25H2,1H3,(H,26,28)