3-(3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl)propane-1-sulfonic acid Openeye Name: 3-(3,4-dihydro-1H-benzothiopheno[2,3-c]pyridin-2-yl)propane-1-sulfonic acid CAS Name: 3-(3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl)propane-1-sulfonic acid Traditional Name: 3-(3,4-dihydro-1H-benzothiopheno[2,3-c]pyridin-2-yl)propane-1-sulfonic acid Formula: C14H17NO3S2 MolecularWeight: 311.41968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C3=CC=CC=C3S2)CCCS(=O)(=O)O

Isomeric SMILES

C1CN(CC2=C1C3=CC=CC=C3S2)CCCS(=O)(=O)O

InChI

InChI=1S/C14H17NO3S2/c16-20(17,18)9-3-7-15-8-6-12-11-4-1-2-5-13(11)19-14(12)10-15/h1-2,4-5H,3,6-10H2,(H,16,17,18)