3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-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=C1F)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1F)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27FN2O4S/c1-24(16-18-9-5-6-10-19(18)23)22(26)17-11-12-20(29-2)21(15-17)30(27,28)25-13-7-3-4-8-14-25/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3