morpholin-4-yl-[(3S)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone

Systemtic Name: morpholin-4-yl-[(3S)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: morpholino-[(3S)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: 4-morpholinyl-[(3S)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: morpholin-4-yl-[(3S)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: morpholino-[(3S)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)[C@@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c24-20(21-9-11-29-12-10-21)18-13-15-5-1-2-6-16(15)14-22(18)30(27,28)19-8-4-3-7-17(19)23(25)26/h1-8,18H,9-14H2/t18-/m0/s1