4-[[5-[(E)-2-(2-azanyl-1,3-benzothiazol-6-yl)ethenyl]pyrimidin-2-yl]amino]-N-methyl-N-piperidin-3-yl-benzenesulfonamide

Systemtic Name: 4-[[5-[(E)-2-(2-azanyl-1,3-benzothiazol-6-yl)ethenyl]pyrimidin-2-yl]amino]-N-methyl-N-piperidin-3-yl-benzenesulfonamide Openeye Name: 4-[[5-[(E)-2-(2-amino-1,3-benzothiazol-6-yl)vinyl]pyrimidin-2-yl]amino]-N-methyl-N-(3-piperidyl)benzenesulfonamide CAS Name: 4-[[5-[(E)-2-(2-amino-1,3-benzothiazol-6-yl)ethenyl]-2-pyrimidinyl]amino]-N-methyl-N-(3-piperidinyl)benzenesulfonamide IUPAC Name: 4-[[5-[(E)-2-(2-amino-1,3-benzothiazol-6-yl)ethenyl]pyrimidin-2-yl]amino]-N-methyl-N-piperidin-3-ylbenzenesulfonamide Traditional Name: 4-[[5-[(E)-2-(2-amino-1,3-benzothiazol-6-yl)vinyl]pyrimidin-2-yl]amino]-N-methyl-N-(3-piperidyl)benzenesulfonamide Formula: C25H27N7O2S2 MolecularWeight: 521.65758

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCNC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)C=CC4=CC5=C(C=C4)N=C(S5)N

Isomeric SMILES

CN(C1CCCNC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)/C=C/C4=CC5=C(C=C4)N=C(S5)N

InChI

InChI=1S/C25H27N7O2S2/c1-32(20-3-2-12-27-16-20)36(33,34)21-9-7-19(8-10-21)30-25-28-14-18(15-29-25)5-4-17-6-11-22-23(13-17)35-24(26)31-22/h4-11,13-15,20,27H,2-3,12,16H2,1H3,(H2,26,31)(H,28,29,30)/b5-4+