3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-propanesulfonic acid IUPAC Name: 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=C(C=C2)Cl)CCCS(=O)(=O)O

Isomeric SMILES

C1CN(CC=C1C2=CC=C(C=C2)Cl)CCCS(=O)(=O)O

InChI

InChI=1S/C14H18ClNO3S/c15-14-4-2-12(3-5-14)13-6-9-16(10-7-13)8-1-11-20(17,18)19/h2-6H,1,7-11H2,(H,17,18,19)