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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c1-13-2-4-16(11-17(13)23(25)26)31(27,28)22-8-6-14(7-9-22)20(24)21-15-3-5-18-19(10-15)30-12-29-18/h2-5,10-11,14H,6-9,12H2,1H3,(H,21,24)