N-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-fluoranyl-N-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-fluoranyl-N-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-fluoro-N-methyl-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-4-fluoro-N-methyl-3-pyrrolidinosulfonyl-benzamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C22H27FN2O5S/c1-4-30-19-10-7-16(13-20(19)29-3)15-24(2)22(26)17-8-9-18(23)21(14-17)31(27,28)25-11-5-6-12-25/h7-10,13-14H,4-6,11-12,15H2,1-3H3