N-methyl-N-[(3-nitrophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-methyl-N-(3-nitrobenzyl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5S/c1-23(17-19-8-5-9-21(16-19)25(27)28)22(26)20-10-13-24(14-11-20)31(29,30)15-12-18-6-3-2-4-7-18/h2-9,12,15-16,20H,10-11,13-14,17H2,1H3/b15-12+