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

Systemtic Name: N-(4-azanylbutyl)-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanamide Openeye Name: N-(4-aminobutyl)-2-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetamide CAS Name: N-(4-aminobutyl)-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide IUPAC Name: N-(4-aminobutyl)-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide Traditional Name: N-(4-aminobutyl)-2-(2-tosyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-17-8-10-19(11-9-17)29(27,28)25-15-12-18-6-2-3-7-20(18)21(25)16-22(26)24-14-5-4-13-23/h2-3,6-11,21H,4-5,12-16,23H2,1H3,(H,24,26)