N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-1-benzothiophene-3-sulfonamide

Systemtic Name: N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-1-benzothiophene-3-sulfonamide Openeye Name: N-[3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl]benzothiophene-3-sulfonamide CAS Name: N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-1-benzothiophene-3-sulfonamide IUPAC Name: N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-1-benzothiophene-3-sulfonamide Traditional Name: N-[3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl]benzothiophene-3-sulfonamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCNC2=CC=NC=C2)NS(=O)(=O)C3=CSC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC(=C1)OCCNC2=CC=NC=C2)NS(=O)(=O)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O3S2/c1-16-12-18(14-19(13-16)28-11-10-24-17-6-8-23-9-7-17)25-30(26,27)22-15-29-21-5-3-2-4-20(21)22/h2-9,12-15,25H,10-11H2,1H3,(H,23,24)