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

Systemtic Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C27H29N5O2S2 MolecularWeight: 519.68146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2S2/c1-31-26(22-9-4-2-5-10-22)28-29-27(31)35-18-8-16-32-17-15-21-13-14-25(19-23(21)20-32)36(33,34)30-24-11-6-3-7-12-24/h2-7,9-14,19,30H,8,15-18,20H2,1H3