N-(1,3-benzodioxol-5-yl)-1-(4-methoxy-3-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(4-methoxy-3-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(4-methoxy-3-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(4-methoxy-3-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(4-methoxy-3-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(4-methoxy-3-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H21N3O8S MolecularWeight: 463.46104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O8S/c1-29-17-5-3-15(11-16(17)23(25)26)32(27,28)22-8-6-13(7-9-22)20(24)21-14-2-4-18-19(10-14)31-12-30-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,21,24)