N-[3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-3,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-3-oxo-propyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[3-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[3-[4-(5-bromopyrimidin-2-yl)piperazino]-3-keto-propyl]-3,4-dimethyl-benzenesulfonamide Formula: C19H24BrN5O3S MolecularWeight: 482.39456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)C

InChI

InChI=1S/C19H24BrN5O3S/c1-14-3-4-17(11-15(14)2)29(27,28)23-6-5-18(26)24-7-9-25(10-8-24)19-21-12-16(20)13-22-19/h3-4,11-13,23H,5-10H2,1-2H3