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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methylsulfonyl-2-nitro-phenyl)piperidin-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methylsulfonyl-2-nitro-phenyl)-4-piperidyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methylsulfonyl-2-nitrophenyl)-4-piperidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-mesyl-2-nitro-phenyl)-4-piperidyl]methanone Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5S/c1-31(29,30)19-6-7-20(21(14-19)25(27)28)23-11-9-17(10-12-23)22(26)24-13-8-16-4-2-3-5-18(16)15-24/h2-7,14,17H,8-13,15H2,1H3