N-[3-[[(6-pyridin-4-yl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[[(6-pyridin-4-yl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]methanesulfonamide Openeye Name: N-[3-[[[6-(4-pyridyl)-1,3-benzothiazol-2-yl]amino]methyl]phenyl]methanesulfonamide CAS Name: N-[3-[[(6-pyridin-4-yl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[[(6-pyridin-4-yl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]methanesulfonamide Traditional Name: N-[3-[[[6-(4-pyridyl)-1,3-benzothiazol-2-yl]amino]methyl]phenyl]methanesulfonamide Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)CNC2=NC3=C(S2)C=C(C=C3)C4=CC=NC=C4

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CNC2=NC3=C(S2)C=C(C=C3)C4=CC=NC=C4

InChI

InChI=1S/C20H18N4O2S2/c1-28(25,26)24-17-4-2-3-14(11-17)13-22-20-23-18-6-5-16(12-19(18)27-20)15-7-9-21-10-8-15/h2-12,24H,13H2,1H3,(H,22,23)