N-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide

Systemtic Name: N-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide Openeye Name: N-phenyl-2-[4-[3-(1-piperidyl)propoxy]benzoyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide CAS Name: 2-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide IUPAC Name: N-phenyl-2-[4-(3-piperidin-1-ylpropoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide Traditional Name: N-phenyl-2-[4-(3-piperidinopropoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide Formula: C30H35N3O4S MolecularWeight: 533.6816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCC4=C(C3)C=CC=C4S(=O)(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCC4=C(C3)C=CC=C4S(=O)(=O)NC5=CC=CC=C5

InChI

InChI=1S/C30H35N3O4S/c34-30(24-13-15-27(16-14-24)37-22-8-20-32-18-5-2-6-19-32)33-21-17-28-25(23-33)9-7-12-29(28)38(35,36)31-26-10-3-1-4-11-26/h1,3-4,7,9-16,31H,2,5-6,8,17-23H2