4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzenesulfonic acid

Systemtic Name: 4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzenesulfonic acid Openeye Name: 4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzenesulfonic acid CAS Name: 4-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]benzenesulfonic acid IUPAC Name: 4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzenesulfonic acid Traditional Name: 4-[4-(3-pyrrolidinopropoxy)phenyl]besylic acid Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1CCN(C1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C19H23NO4S/c21-25(22,23)19-10-6-17(7-11-19)16-4-8-18(9-5-16)24-15-3-14-20-12-1-2-13-20/h4-11H,1-3,12-15H2,(H,21,22,23)