N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-phenylsulfanyl-propanamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-3-(phenylthio)propanamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-phenylsulfanylpropanamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-3-(phenylthio)propionamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S2/c1-2-28-21-12-11-19(30(26,27)24-14-7-4-8-15-24)17-20(21)23-22(25)13-16-29-18-9-5-3-6-10-18/h3,5-6,9-12,17H,2,4,7-8,13-16H2,1H3,(H,23,25)