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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzamide CAS Name: 2-(cyanomethylthio)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 2-(cyanomethylthio)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)benzamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S2/c1-2-28-18-10-9-16(15-20(18)30(26,27)24-12-5-6-13-24)23-21(25)17-7-3-4-8-19(17)29-14-11-22/h3-4,7-10,15H,2,5-6,12-14H2,1H3,(H,23,25)