N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-2-[(4-nitrophenyl)thio]propionamide Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H27N3O6S2/c1-3-31-20-12-7-17(15-21(20)33(29,30)24-13-5-4-6-14-24)23-22(26)16(2)32-19-10-8-18(9-11-19)25(27)28/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,23,26)