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

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-(4-brosylpiperazino)acetamide Formula: C21H25BrN4O5S MolecularWeight: 525.416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN4O5S/c1-15(27)23-17-5-8-20(31-2)19(13-17)24-21(28)14-25-9-11-26(12-10-25)32(29,30)18-6-3-16(22)4-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)(H,24,28)