N-[3-[6-[(phenylmethyl)amino]pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide

Systemtic Name: N-[3-[6-[(phenylmethyl)amino]pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide Openeye Name: N-[3-[6-(benzylamino)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide CAS Name: N-[3-[6-[(phenylmethyl)amino]-4-pyrimidinyl]-5-benzimidazolyl]ethenesulfonamide IUPAC Name: N-[3-[6-(benzylamino)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide Traditional Name: N-[3-[6-(benzylamino)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)NC1=CC2=C(C=C1)N=CN2C3=CC(=NC=N3)NCC4=CC=CC=C4

Isomeric SMILES

C=CS(=O)(=O)NC1=CC2=C(C=C1)N=CN2C3=CC(=NC=N3)NCC4=CC=CC=C4

InChI

InChI=1S/C20H18N6O2S/c1-2-29(27,28)25-16-8-9-17-18(10-16)26(14-24-17)20-11-19(22-13-23-20)21-12-15-6-4-3-5-7-15/h2-11,13-14,25H,1,12H2,(H,21,22,23)