N-[4-[[4-[2-(phenylsulfonyl)ethanoyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-[2-(phenylsulfonyl)ethanoyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-[2-(benzenesulfonyl)acetyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[2-(benzenesulfonyl)-1-oxoethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-[2-(benzenesulfonyl)acetyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(2-besylacetyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S/c1-18(26)23-20-10-8-19(9-11-20)16-24-12-5-13-25(15-14-24)22(27)17-30(28,29)21-6-3-2-4-7-21/h2-4,6-11H,5,12-17H2,1H3,(H,23,26)