2-bromanyl-N-[2-(4-ethylpiperazin-1-yl)-4-[(phenylmethyl)amino]pyrimidin-5-yl]benzenesulfonamide

Systemtic Name: 2-bromanyl-N-[2-(4-ethylpiperazin-1-yl)-4-[(phenylmethyl)amino]pyrimidin-5-yl]benzenesulfonamide Openeye Name: N-[4-(benzylamino)-2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-2-bromo-benzenesulfonamide CAS Name: 2-bromo-N-[2-(4-ethyl-1-piperazinyl)-4-[(phenylmethyl)amino]-5-pyrimidinyl]benzenesulfonamide IUPAC Name: N-[4-(benzylamino)-2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-2-bromobenzenesulfonamide Traditional Name: N-[4-(benzylamino)-2-(4-ethylpiperazino)pyrimidin-5-yl]-2-bromo-benzenesulfonamide Formula: C23H27BrN6O2S MolecularWeight: 531.46848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C(=N2)NCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4Br

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C(=N2)NCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C23H27BrN6O2S/c1-2-29-12-14-30(15-13-29)23-26-17-20(22(27-23)25-16-18-8-4-3-5-9-18)28-33(31,32)21-11-7-6-10-19(21)24/h3-11,17,28H,2,12-16H2,1H3,(H,25,26,27)