3-(azepan-1-ylsulfonyl)-N-[(3-fluorophenyl)methyl]-4-methoxy-N-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(3-fluorophenyl)methyl]-4-methoxy-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(3-fluorophenyl)methyl]-4-methoxy-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(3-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(3-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(3-fluorobenzyl)-4-methoxy-N-methyl-benzamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27FN2O4S/c1-24(16-17-8-7-9-19(23)14-17)22(26)18-10-11-20(29-2)21(15-18)30(27,28)25-12-5-3-4-6-13-25/h7-11,14-15H,3-6,12-13,16H2,1-2H3