1-(3-nitrophenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-(3-nitrophenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(3-nitrophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(3-nitrophenyl)sulfonyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(3-nitrophenyl)sulfonyl-isonipecotamide Formula: C24H31N4O5S+ MolecularWeight: 487.59174

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O5S/c29-24(25-21-11-13-26(14-12-21)18-19-5-2-1-3-6-19)20-9-15-27(16-10-20)34(32,33)23-8-4-7-22(17-23)28(30)31/h1-8,17,20-21H,9-16,18H2,(H,25,29)/p+1