2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-30(28,29)22-10-8-21(9-11-22)18-25-14-5-15-26(17-16-25)19-23(27)24-13-12-20-6-3-2-4-7-20/h2-4,6-11H,5,12-19H2,1H3,(H,24,27)