N-(2-methyl-5-nitro-phenyl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methyl-5-nitrophenyl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-16-7-8-19(24(26)27)15-20(16)22-21(25)18-9-12-23(13-10-18)30(28,29)14-11-17-5-3-2-4-6-17/h2-8,11,14-15,18H,9-10,12-13H2,1H3,(H,22,25)/b14-11+