2-(2-bromanyl-4,6-dimethyl-phenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4,6-dimethyl-phenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(2-bromo-4,6-dimethyl-phenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-(2-bromo-4,6-dimethylphenoxy)-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(2-bromo-4,6-dimethylphenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-(2-bromo-4,6-dimethyl-phenoxy)-N-[4-(4-mesylpiperazino)phenyl]acetamide Formula: C21H26BrN3O4S MolecularWeight: 496.41784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C21H26BrN3O4S/c1-15-12-16(2)21(19(22)13-15)29-14-20(26)23-17-4-6-18(7-5-17)24-8-10-25(11-9-24)30(3,27)28/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)