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

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-(methylsulfanylmethyl)benzamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-(methylsulfanylmethyl)benzamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-4-[(methylthio)methyl]benzamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-(methylsulfanylmethyl)benzamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-4-[(methylthio)methyl]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=C(C=C2)CSC)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S2/c1-3-27-19-11-10-18(14-20(19)29(25,26)23-12-4-5-13-23)22-21(24)17-8-6-16(7-9-17)15-28-2/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,24)