[4-[2-(3-imidazol-1-ylpropylamino)ethoxy]phenyl] butane-1-sulfonate

Systemtic Name: [4-[2-(3-imidazol-1-ylpropylamino)ethoxy]phenyl] butane-1-sulfonate Openeye Name: [4-[2-(3-imidazol-1-ylpropylamino)ethoxy]phenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [4-[2-(3-imidazol-1-ylpropylamino)ethoxy]phenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [4-[2-(3-imidazol-1-ylpropylamino)ethoxy]phenyl] ester Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=C(C=C1)OCCNCCCN2C=CN=C2

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=C(C=C1)OCCNCCCN2C=CN=C2

InChI

InChI=1S/C18H27N3O4S/c1-2-3-15-26(22,23)25-18-7-5-17(6-8-18)24-14-11-19-9-4-12-21-13-10-20-16-21/h5-8,10,13,16,19H,2-4,9,11-12,14-15H2,1H3