N-[4-(4-fluorophenyl)butyl]-1-isoquinolin-5-ylsulfonyl-N-methyl-piperidin-4-amine oxide

Systemtic Name: N-[4-(4-fluorophenyl)butyl]-1-isoquinolin-5-ylsulfonyl-N-methyl-piperidin-4-amine oxide Openeye Name: N-[4-(4-fluorophenyl)butyl]-1-(5-isoquinolylsulfonyl)-N-methyl-piperidin-4-amine oxide CAS Name: N-[4-(4-fluorophenyl)butyl]-1-(5-isoquinolinylsulfonyl)-N-methyl-4-piperidinamine oxide IUPAC Name: N-[4-(4-fluorophenyl)butyl]-1-isoquinolin-5-ylsulfonyl-N-methylpiperidin-4-amine oxide Traditional Name: N-[4-(4-fluorophenyl)butyl]-1-(5-isoquinolylsulfonyl)-N-methyl-piperidin-4-amine oxide Formula: C25H30FN3O3S MolecularWeight: 471.587403

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCCCC1=CC=C(C=C1)F)(C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)[O-]

Isomeric SMILES

C[N+](CCCCC1=CC=C(C=C1)F)(C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)[O-]

InChI

InChI=1S/C25H30FN3O3S/c1-29(30,18-3-2-5-20-8-10-22(26)11-9-20)23-13-16-28(17-14-23)33(31,32)25-7-4-6-21-19-27-15-12-24(21)25/h4,6-12,15,19,23H,2-3,5,13-14,16-18H2,1H3