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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2R)-1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2R)-1-(2-nitrophenyl)sulfonyl-2-piperidyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2R)-1-(2-nitrophenyl)sulfonyl-2-piperidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2R)-1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2R)-1-(2-nitrophenyl)sulfonyl-2-piperidyl]methanone Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCN([C@H](C1)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5S/c25-21(22-14-12-16-7-1-2-8-17(16)15-22)19-10-5-6-13-23(19)30(28,29)20-11-4-3-9-18(20)24(26)27/h1-4,7-9,11,19H,5-6,10,12-15H2/t19-/m1/s1