N-[2-(azepan-1-yl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonyl-amino]benzamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonyl-amino]benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonyl-amino]benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-[(4-fluorobenzyl)-mesyl-amino]benzamide Formula: C23H30FN3O3S MolecularWeight: 447.566003

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)F)C2=CC=C(C=C2)C(=O)NCCN3CCCCCC3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)F)C2=CC=C(C=C2)C(=O)NCCN3CCCCCC3

InChI

InChI=1S/C23H30FN3O3S/c1-31(29,30)27(18-19-6-10-21(24)11-7-19)22-12-8-20(9-13-22)23(28)25-14-17-26-15-4-2-3-5-16-26/h6-13H,2-5,14-18H2,1H3,(H,25,28)