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

Systemtic Name: N-[4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O3S/c1-18(26)23-21-8-4-19(5-9-21)16-24-12-3-13-25(15-14-24)17-20-6-10-22(11-7-20)29(2,27)28/h4-11H,3,12-17H2,1-2H3,(H,23,26)