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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(4-fluorophenyl)methyl]-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-fluorobenzyl)-4-methyl-benzamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25FN2O3S/c1-16-6-9-18(21(25)23-15-17-7-10-19(22)11-8-17)14-20(16)28(26,27)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13,15H2,1H3,(H,23,25)