N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-phenylsulfanyl-propanamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(phenylthio)propanamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-phenylsulfanylpropanamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-(phenylthio)propionamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCSC2=CC=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCSC2=CC=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N2O4S2/c1-2-27-19-11-10-17(16-20(19)29(25,26)23-13-6-7-14-23)22-21(24)12-15-28-18-8-4-3-5-9-18/h3-5,8-11,16H,2,6-7,12-15H2,1H3,(H,22,24)