2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-(4-brosyl-1,4-diazepan-1-yl)-N-(2-ethylphenyl)acetamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O3S/c1-2-17-6-3-4-7-20(17)23-21(26)16-24-12-5-13-25(15-14-24)29(27,28)19-10-8-18(22)9-11-19/h3-4,6-11H,2,5,12-16H2,1H3,(H,23,26)