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

Systemtic Name: N-(2-azanylethyl)-4-[2-(3-oxidanylpropyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide Openeye Name: N-(2-aminoethyl)-4-[2-(3-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide CAS Name: N-(2-aminoethyl)-4-[2-(3-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide IUPAC Name: N-(2-aminoethyl)-4-[2-(3-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide Traditional Name: N-(2-aminoethyl)-4-[2-(3-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c19-8-10-21-26(24,25)15-5-3-13(4-6-15)16-7-9-20-18-17(16)12-14(22-18)2-1-11-23/h3-7,9,12,21,23H,1-2,8,10-11,19H2,(H,20,22)