3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-morpholin-4-ylethylsulfanyl)-3-nitro-phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-morpholin-4-ylethylsulfanyl)-3-nitro-phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-morpholinoethylsulfanyl)-3-nitro-phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[2-(4-morpholinyl)ethylthio]-3-nitrophenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-morpholin-4-ylethylsulfanyl)-3-nitrophenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-morpholinoethylthio)-3-nitro-phenyl]methanone Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)SCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)SCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4S/c26-22(24-8-7-17-3-1-2-4-19(17)16-24)18-5-6-21(20(15-18)25(27)28)30-14-11-23-9-12-29-13-10-23/h1-6,15H,7-14,16H2