4-[(2S)-2-azanyl-3-oxidanylidene-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzenesulfonamide

Systemtic Name: 4-[(2S)-2-azanyl-3-oxidanylidene-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzenesulfonamide Openeye Name: 4-[(2S)-2-amino-3-oxo-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzenesulfonamide CAS Name: 4-[(2S)-2-amino-3-oxo-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzenesulfonamide IUPAC Name: 4-[(2S)-2-amino-3-oxo-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzenesulfonamide Traditional Name: 4-[(2S)-2-amino-3-keto-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzenesulfonamide Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CC=C(C=C3)S(=O)(=O)N)N)C4=NC=C(N4)C5=CC=CC=C5

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC=C(C=C3)S(=O)(=O)N)N)C4=NC=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O3S/c28-23(14-18-10-12-22(13-11-18)36(29,34)35)27(33)32-17-21-9-5-4-8-20(21)15-25(32)26-30-16-24(31-26)19-6-2-1-3-7-19/h1-13,16,23,25H,14-15,17,28H2,(H,30,31)(H2,29,34,35)/t23-,25-/m0/s1