N-(2-azanylethyl)-N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide

Systemtic Name: N-(2-azanylethyl)-N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide Openeye Name: N-(2-aminoethyl)-N-[3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl]benzenesulfonamide CAS Name: N-(2-aminoethyl)-N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide IUPAC Name: N-(2-aminoethyl)-N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide Traditional Name: N-(2-aminoethyl)-N-[3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl]benzenesulfonamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCNC2=CC=NC=C2)N(CCN)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OCCNC2=CC=NC=C2)N(CCN)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3S/c1-18-15-20(26(13-9-23)30(27,28)22-5-3-2-4-6-22)17-21(16-18)29-14-12-25-19-7-10-24-11-8-19/h2-8,10-11,15-17H,9,12-14,23H2,1H3,(H,24,25)