N-[(4-ethylphenyl)methyl]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methyl-ethanamide

Systemtic Name: N-[(4-ethylphenyl)methyl]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methyl-ethanamide Openeye Name: N-[(4-ethylphenyl)methyl]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methyl-acetamide CAS Name: N-[(4-ethylphenyl)methyl]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methylacetamide IUPAC Name: N-[(4-ethylphenyl)methyl]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methylacetamide Traditional Name: N-(4-ethylbenzyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methyl-acetamide Formula: C23H30FN3O3S MolecularWeight: 447.566003

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H30FN3O3S/c1-3-19-5-7-20(8-6-19)17-25(2)23(28)18-26-13-4-14-27(16-15-26)31(29,30)22-11-9-21(24)10-12-22/h5-12H,3-4,13-18H2,1-2H3