N-[2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide

Systemtic Name: N-[2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide Openeye Name: N-[2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide CAS Name: N-[2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide IUPAC Name: N-[2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide Traditional Name: N-[2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide Formula: C22H27N5O2S2 MolecularWeight: 457.61208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=C(C=C3)NS(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=C(C=C3)NS(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2S2/c1-26-21(18-7-4-3-5-8-18)23-24-22(26)30-14-6-12-27-13-11-17-9-10-20(15-19(17)16-27)25-31(2,28)29/h3-5,7-10,15,25H,6,11-14,16H2,1-2H3