N-phenethyl-2-[2,3,4-trimethoxy-5-[methyl(3-phenylpropyl)sulfamoyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: N-phenethyl-2-[2,3,4-trimethoxy-5-[methyl(3-phenylpropyl)sulfamoyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-phenethyl-2-[2,3,4-trimethoxy-5-[methyl(3-phenylpropyl)sulfamoyl]benzoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: 2-[oxo-[2,3,4-trimethoxy-5-[methyl(3-phenylpropyl)sulfamoyl]phenyl]methyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-phenethyl-2-[2,3,4-trimethoxy-5-[methyl(3-phenylpropyl)sulfamoyl]benzoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-phenethyl-2-[2,3,4-trimethoxy-5-[methyl(3-phenylpropyl)sulfamoyl]benzoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C37H43N3O8S2 MolecularWeight: 721.88262

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CC=C1)S(=O)(=O)C2=C(C(=C(C(=C2)C(=O)N3CCC4=C(C3)C=C(C=C4)S(=O)(=O)NCCC5=CC=CC=C5)OC)OC)OC

Isomeric SMILES

CN(CCCC1=CC=CC=C1)S(=O)(=O)C2=C(C(=C(C(=C2)C(=O)N3CCC4=C(C3)C=C(C=C4)S(=O)(=O)NCCC5=CC=CC=C5)OC)OC)OC

InChI

InChI=1S/C37H43N3O8S2/c1-39(22-11-16-27-12-7-5-8-13-27)50(44,45)33-25-32(34(46-2)36(48-4)35(33)47-3)37(41)40-23-20-29-17-18-31(24-30(29)26-40)49(42,43)38-21-19-28-14-9-6-10-15-28/h5-10,12-15,17-18,24-25,38H,11,16,19-23,26H2,1-4H3