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

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methyl-N-(o-tolylmethyl)acetamide CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methyl-N-(2-methylbenzyl)acetamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O3S/c1-18-6-3-4-7-19(18)16-24(2)22(27)17-25-12-5-13-26(15-14-25)30(28,29)21-10-8-20(23)9-11-21/h3-4,6-11H,5,12-17H2,1-2H3