N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propanamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide Traditional Name: N-(4-fluorobenzyl)-2-(4-tosyl-1,4-diazepan-1-yl)propionamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(C)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O3S/c1-17-4-10-21(11-5-17)30(28,29)26-13-3-12-25(14-15-26)18(2)22(27)24-16-19-6-8-20(23)9-7-19/h4-11,18H,3,12-16H2,1-2H3,(H,24,27)