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

Systemtic Name: 7-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[1-(phenylmethyl)indazol-5-yl]quinolin-4-amine Openeye Name: N-(1-benzylindazol-5-yl)-7-[4-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinolin-4-amine CAS Name: 7-[4-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-N-[1-(phenylmethyl)-5-indazolyl]-4-quinolinamine IUPAC Name: N-(1-benzylindazol-5-yl)-7-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinolin-4-amine Traditional Name: (1-benzylindazol-5-yl)-[7-[4-[(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=COC(=C1)C2=CC3=NC=CC(=C3C=C2)NC4=CC5=C(C=C4)N(N=C5)CC6=CC=CC=C6

Isomeric SMILES

CS(=O)(=O)CCNCC1=COC(=C1)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)14-13-32-18-23-15-31(39-21-23)24-7-9-27-28(11-12-33-29(27)17-24)35-26-8-10-30-25(16-26)19-34-36(30)20-22-5-3-2-4-6-22/h2-12,15-17,19,21,32H,13-14,18,20H2,1H3,(H,33,35)