[(1S)-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-28(2)25(21-10-4-3-5-11-21)18-27-26(30)22-13-8-14-24(17-22)33(31,32)29-16-15-20-9-6-7-12-23(20)19-29/h3-14,17,25H,15-16,18-19H2,1-2H3,(H,27,30)/p+1/t25-/m1/s1