3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-1-[4-(4-methylpiperazino)sulfonylpiperazino]propan-1-one Formula: C19H29BrN4O4S MolecularWeight: 489.42696

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C19H29BrN4O4S/c1-21-7-11-23(12-8-21)29(26,27)24-13-9-22(10-14-24)19(25)6-4-16-3-5-18(28-2)17(20)15-16/h3,5,15H,4,6-14H2,1-2H3