N-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]ethyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

Systemtic Name: N-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]ethyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide Openeye Name: N-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide CAS Name: N-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide IUPAC Name: N-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide Traditional Name: N-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)NC3=CC=C(C=C3)CCNCC(C4=CN=CC=C4)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)NC3=CC=C(C=C3)CCNCC(C4=CN=CC=C4)O

InChI

InChI=1S/C24H28N4O3S/c29-24(21-6-3-13-25-16-21)17-26-14-11-19-7-9-23(10-8-19)27-32(30,31)28-15-12-20-4-1-2-5-22(20)18-28/h1-10,13,16,24,26-27,29H,11-12,14-15,17-18H2