N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C22H23N3O8S MolecularWeight: 489.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

InChI

InChI=1S/C22H23N3O8S/c1-13-3-4-16(25(28)29)9-21(13)34(30,31)24-7-5-15(6-8-24)22(27)23-18-11-20-19(32-12-33-20)10-17(18)14(2)26/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,23,27)