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

Systemtic Name: 2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-7-(1-piperidylsulfonyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-7-(1-piperidinylsulfonyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-7-piperidinosulfonyl-3,4-dihydro-1H-isoquinoline Formula: C27H35N5O2S MolecularWeight: 493.6641

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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)N5CCCCC5

Isomeric SMILES

CN1C(=NN=C1C2=CC=CC=C2)CCCCN3CCC4=C(C3)C=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C27H35N5O2S/c1-30-26(28-29-27(30)23-10-4-2-5-11-23)12-6-9-16-31-19-15-22-13-14-25(20-24(22)21-31)35(33,34)32-17-7-3-8-18-32/h2,4-5,10-11,13-14,20H,3,6-9,12,15-19,21H2,1H3