N-(1,3-benzodioxol-5-ylmethyl)-1-(2-nitrophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-nitrophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-nitrophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(2-nitrophenyl)sulfonyl-N-piperonyl-isonipecotamide Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c24-20(21-12-14-5-6-17-18(11-14)30-13-29-17)15-7-9-22(10-8-15)31(27,28)19-4-2-1-3-16(19)23(25)26/h1-6,11,15H,7-10,12-13H2,(H,21,24)