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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H23N3O5S/c25-21(22-13-11-16-4-1-2-5-17(16)14-22)18-6-3-12-23(15-18)30(28,29)20-9-7-19(8-10-20)24(26)27/h1-2,4-5,7-10,18H,3,6,11-15H2/t18-/m1/s1