3-[4-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-propanesulfonic acid IUPAC Name: 3-[4-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]propane-1-sulfonic acid Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2C(N1)CCCS(=O)(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C(C2=CC=CC=C2C(N1)CCCS(=O)(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClNO3S/c19-14-9-7-13(8-10-14)17-12-20-18(6-3-11-24(21,22)23)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18,20H,3,6,11-12H2,(H,21,22,23)