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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[(4-fluorophenyl)methyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(4-fluorobenzyl)-2-methyl-benzamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=C(C=C3)F

InChI

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