7-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[1-(phenylmethyl)indazol-5-yl]quinolin-4-amine

Systemtic Name: 7-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[1-(phenylmethyl)indazol-5-yl]quinolin-4-amine Openeye Name: N-(1-benzylindazol-5-yl)-7-[5-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinolin-4-amine CAS Name: 7-[5-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-N-[1-(phenylmethyl)-5-indazolyl]-4-quinolinamine IUPAC Name: N-(1-benzylindazol-5-yl)-7-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinolin-4-amine Traditional Name: (1-benzylindazol-5-yl)-[7-[5-[(2-mesylethylamino)methyl]-2-furyl]-4-quinolyl]amine Formula: C31H29N5O3S MolecularWeight: 551.65866

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=NC=CC(=C3C=C2)NC4=CC5=C(C=C4)N(N=C5)CC6=CC=CC=C6

Isomeric SMILES

CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=NC=CC(=C3C=C2)NC4=CC5=C(C=C4)N(N=C5)CC6=CC=CC=C6

InChI

InChI=1S/C31H29N5O3S/c1-40(37,38)16-15-32-20-26-9-12-31(39-26)23-7-10-27-28(13-14-33-29(27)18-23)35-25-8-11-30-24(17-25)19-34-36(30)21-22-5-3-2-4-6-22/h2-14,17-19,32H,15-16,20-21H2,1H3,(H,33,35)