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

Systemtic Name: [2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: (2-nosyl-3,4-dihydro-1H-isoquinolin-3-yl)-pyrrolidino-methanone Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c24-20(21-11-3-4-12-21)19-13-15-5-1-2-6-16(15)14-22(19)29(27,28)18-9-7-17(8-10-18)23(25)26/h1-2,5-10,19H,3-4,11-14H2