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

Systemtic Name: [4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl] butane-1-sulfonate Openeye Name: [4-[1-(3-imidazol-1-ylpropylamino)-1-methyl-ethyl]phenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [4-[1-(3-imidazol-1-ylpropylamino)-1-methyl-ethyl]phenyl] ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=C(C=C1)C(C)(C)NCCCN2C=CN=C2

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=C(C=C1)C(C)(C)NCCCN2C=CN=C2

InChI

InChI=1S/C19H29N3O3S/c1-4-5-15-26(23,24)25-18-9-7-17(8-10-18)19(2,3)21-11-6-13-22-14-12-20-16-22/h7-10,12,14,16,21H,4-6,11,13,15H2,1-3H3