N-(2-azanylethyl)-4-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide

Systemtic Name: N-(2-azanylethyl)-4-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide Openeye Name: N-(2-aminoethyl)-4-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide CAS Name: N-(2-aminoethyl)-4-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide IUPAC Name: N-(2-aminoethyl)-4-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide Traditional Name: N-(2-aminoethyl)-4-(2-methylol-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=C(NC3=NC=C2)CO)S(=O)(=O)NCCN

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=C(NC3=NC=C2)CO)S(=O)(=O)NCCN

InChI

InChI=1S/C16H18N4O3S/c17-6-8-19-24(22,23)13-3-1-11(2-4-13)14-5-7-18-16-15(14)9-12(10-21)20-16/h1-5,7,9,19,21H,6,8,10,17H2,(H,18,20)