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

Systemtic Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S/c1-18(21-9-6-10-22(17-21)26(28)29)24(2)23(27)20-11-14-25(15-12-20)32(30,31)16-13-19-7-4-3-5-8-19/h3-10,13,16-18,20H,11-12,14-15H2,1-2H3/b16-13+