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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[1-(2-fluorophenyl)ethyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[1-(2-fluorophenyl)ethyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[1-(2-fluorophenyl)ethyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[1-(2-fluorophenyl)ethyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[1-(2-fluorophenyl)ethyl]-4-methoxy-benzamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1F)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C1=CC=CC=C1F)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

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