N-methyl-N-[1-[4-(4-nitrophenoxy)butyl]piperidin-4-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-methyl-N-[1-[4-(4-nitrophenoxy)butyl]piperidin-4-yl]isoquinoline-5-sulfonamide Openeye Name: N-methyl-N-[1-[4-(4-nitrophenoxy)butyl]-4-piperidyl]isoquinoline-5-sulfonamide CAS Name: N-methyl-N-[1-[4-(4-nitrophenoxy)butyl]-4-piperidinyl]-5-isoquinolinesulfonamide IUPAC Name: N-methyl-N-[1-[4-(4-nitrophenoxy)butyl]piperidin-4-yl]isoquinoline-5-sulfonamide Traditional Name: N-methyl-N-[1-[4-(4-nitrophenoxy)butyl]-4-piperidyl]isoquinoline-5-sulfonamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCCCOC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(C1CCN(CC1)CCCCOC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H30N4O5S/c1-27(35(32,33)25-6-4-5-20-19-26-14-11-24(20)25)21-12-16-28(17-13-21)15-2-3-18-34-23-9-7-22(8-10-23)29(30)31/h4-11,14,19,21H,2-3,12-13,15-18H2,1H3