N-(5-acetamido-2-methoxy-phenyl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-(4-brosyl-1,4-diazepan-1-yl)acetamide Formula: C22H27BrN4O5S MolecularWeight: 539.44258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN4O5S/c1-16(28)24-18-6-9-21(32-2)20(14-18)25-22(29)15-26-10-3-11-27(13-12-26)33(30,31)19-7-4-17(23)5-8-19/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,28)(H,25,29)