N-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethyloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide hydrochloride

Systemtic Name: N-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethyloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide hydrochloride Openeye Name: N-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide hydrochloride CAS Name: N-methyl-5-[4-[(4-methyl-1-piperazinyl)sulfonyl]-3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide hydrochloride IUPAC Name: N-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide hydrochloride Traditional Name: N-methyl-5-[4-(4-methylpiperazino)sulfonyl-3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide hydrochloride Formula: C21H23ClF3N5O4S MolecularWeight: 533.95163

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CNC2=NC=C(C=C12)C3=CC(=C(C=C3)S(=O)(=O)N4CCN(CC4)C)OC(F)(F)F.Cl

Isomeric SMILES

CNC(=O)C1=CNC2=NC=C(C=C12)C3=CC(=C(C=C3)S(=O)(=O)N4CCN(CC4)C)OC(F)(F)F.Cl

InChI

InChI=1S/C21H22F3N5O4S.ClH/c1-25-20(30)16-12-27-19-15(16)9-14(11-26-19)13-3-4-18(17(10-13)33-21(22,23)24)34(31,32)29-7-5-28(2)6-8-29;/h3-4,9-12H,5-8H2,1-2H3,(H,25,30)(H,26,27);1H