2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide Openeye Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]propanamide IUPAC Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-[4-(4-methylpiperazino)sulfonylphenyl]propionamide Formula: C22H28BrN3O4S MolecularWeight: 510.44442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)C)Br

InChI

InChI=1S/C22H28BrN3O4S/c1-15-13-18(23)14-16(2)21(15)30-17(3)22(27)24-19-5-7-20(8-6-19)31(28,29)26-11-9-25(4)10-12-26/h5-8,13-14,17H,9-12H2,1-4H3,(H,24,27)