4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonic acid

Systemtic Name: 4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonic acid Openeye Name: 4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonic acid CAS Name: 4-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzenesulfonic acid IUPAC Name: 4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonic acid Traditional Name: 4-[4-(2-pyrrolidinoethoxy)phenyl]besylic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C18H21NO4S/c20-24(21,22)18-9-5-16(6-10-18)15-3-7-17(8-4-15)23-14-13-19-11-1-2-12-19/h3-10H,1-2,11-14H2,(H,20,21,22)