N-(2,6-diethylphenyl)-2-[4-(2-methylsulfonylethanoyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(2-methylsulfonylethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(2-methylsulfonylacetyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-(2-methylsulfonyl-1-oxoethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(2-methylsulfonylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(2-mesylacetyl)-1,4-diazepan-1-yl]acetamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)CS(=O)(=O)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)CS(=O)(=O)C

InChI

InChI=1S/C20H31N3O4S/c1-4-16-8-6-9-17(5-2)20(16)21-18(24)14-22-10-7-11-23(13-12-22)19(25)15-28(3,26)27/h6,8-9H,4-5,7,10-15H2,1-3H3,(H,21,24)