N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-phenylsulfanyl-propanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-phenylsulfanyl-propanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-phenylsulfanyl-propanamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(phenylthio)propanamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylsulfanylpropanamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-(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)C(C)SC2=CC=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N2O4S2/c1-3-27-19-12-11-17(15-20(19)29(25,26)23-13-7-8-14-23)22-21(24)16(2)28-18-9-5-4-6-10-18/h4-6,9-12,15-16H,3,7-8,13-14H2,1-2H3,(H,22,24)