N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-5-yl]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCC4=C(C3)C=CC=C4NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCC4=C(C3)C=CC=C4NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H35N3O4S/c34-30(24-13-15-26(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)31-38(35,36)27-10-3-1-4-11-27/h1,3-4,7,9-16,31H,2,5-6,8,17-23H2