4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]sulfonylmorpholine

Systemtic Name: 4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]sulfonylmorpholine Openeye Name: 4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]sulfonylmorpholine CAS Name: 4-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]-1-piperazinyl]sulfonyl]morpholine IUPAC Name: 4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]sulfonylmorpholine Traditional Name: 4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazino]sulfonylmorpholine Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O5S/c29-28(30)22-6-5-21(17-23(22)25-8-7-19-3-1-2-4-20(19)18-25)24-9-11-26(12-10-24)34(31,32)27-13-15-33-16-14-27/h1-6,17H,7-16,18H2