N-[4-[[2-(phenylmethyl)benzo[e]indazol-5-yl]amino]quinazolin-6-yl]ethenesulfonamide

Systemtic Name: N-[4-[[2-(phenylmethyl)benzo[e]indazol-5-yl]amino]quinazolin-6-yl]ethenesulfonamide Openeye Name: N-[4-[(2-benzylbenzo[e]indazol-5-yl)amino]quinazolin-6-yl]ethenesulfonamide CAS Name: N-[4-[[2-(phenylmethyl)-5-benzo[e]indazolyl]amino]-6-quinazolinyl]ethenesulfonamide IUPAC Name: N-[4-[(2-benzylbenzo[e]indazol-5-yl)amino]quinazolin-6-yl]ethenesulfonamide Traditional Name: N-[4-[(2-benzylbenz[e]indazol-5-yl)amino]quinazolin-6-yl]ethenesulfonamide Formula: C28H22N6O2S MolecularWeight: 506.57828

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC4=NN(C=C4C5=CC=CC=C53)CC6=CC=CC=C6

Isomeric SMILES

C=CS(=O)(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC4=NN(C=C4C5=CC=CC=C53)CC6=CC=CC=C6

InChI

InChI=1S/C28H22N6O2S/c1-2-37(35,36)33-20-12-13-25-23(14-20)28(30-18-29-25)31-26-15-27-24(21-10-6-7-11-22(21)26)17-34(32-27)16-19-8-4-3-5-9-19/h2-15,17-18,33H,1,16H2,(H,29,30,31)