N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-ethylsulfanyl-benzamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-ethylsulfanyl-benzamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-ethylsulfanyl-benzamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(ethylthio)benzamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-ethylsulfanylbenzamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-(ethylthio)benzamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N2O4S2/c1-3-27-18-12-11-16(15-20(18)29(25,26)23-13-7-8-14-23)22-21(24)17-9-5-6-10-19(17)28-4-2/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24)