[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-(5-nitrofuran-2-yl)methanone

Systemtic Name: [4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-(5-nitrofuran-2-yl)methanone Openeye Name: [4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-(5-nitro-2-furyl)methanone CAS Name: [4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-1-piperazinyl]-(5-nitro-2-furanyl)methanone IUPAC Name: [4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]piperazin-1-yl]-(5-nitrofuran-2-yl)methanone Traditional Name: [4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazino]-(5-nitro-2-furyl)methanone Formula: C25H26N4O7S MolecularWeight: 526.56154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)N4CCN(CC4)C(=O)C5=CC=C(O5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)N4CCN(CC4)C(=O)C5=CC=C(O5)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O7S/c1-35-22-7-6-20(37(33,34)28-11-10-18-4-2-3-5-19(18)17-28)16-21(22)26-12-14-27(15-13-26)25(30)23-8-9-24(36-23)29(31)32/h2-9,16H,10-15,17H2,1H3