2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-3,4-dihydro-1H-isoquinoline Formula: C20H24FN3O4S2 MolecularWeight: 453.550663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H24FN3O4S2/c21-19-6-8-20(9-7-19)29(25,26)22-11-3-12-23(15-14-22)30(27,28)24-13-10-17-4-1-2-5-18(17)16-24/h1-2,4-9H,3,10-16H2