2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-7-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-7-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 7-(benzenesulfonyl)-2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline CAS Name: 7-(benzenesulfonyl)-2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 7-(benzenesulfonyl)-2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 7-besyl-2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C2=CC=CC=C2)CCCCN3CCC4=C(C3)C=C(C=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1C2=CC=CC=C2)CCCCN3CCC4=C(C3)C=C(C=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2S/c1-31-27(29-30-28(31)23-10-4-2-5-11-23)14-8-9-18-32-19-17-22-15-16-26(20-24(22)21-32)35(33,34)25-12-6-3-7-13-25/h2-7,10-13,15-16,20H,8-9,14,17-19,21H2,1H3