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

Systemtic Name: 3-cyano-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: 3-cyano-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzamide CAS Name: 3-cyano-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 3-cyano-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 3-cyano-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-2-27-18-9-8-17(13-19(18)28(25,26)23-10-3-4-11-23)22-20(24)16-7-5-6-15(12-16)14-21/h5-9,12-13H,2-4,10-11H2,1H3,(H,22,24)