N-[2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]ethyl]benzenesulfonamide

Systemtic Name: N-[2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]ethyl]benzenesulfonamide Openeye Name: N-[2-[4-[1-(3-imidazol-1-ylpropylamino)-1-methyl-ethyl]phenyl]ethyl]benzenesulfonamide CAS Name: N-[2-[4-[2-[3-(1-imidazolyl)propylamino]propan-2-yl]phenyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]ethyl]benzenesulfonamide Traditional Name: N-[2-[4-[1-(3-imidazol-1-ylpropylamino)-1-methyl-ethyl]phenyl]ethyl]benzenesulfonamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=CC=C2)NCCCN3C=CN=C3

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=CC=C2)NCCCN3C=CN=C3

InChI

InChI=1S/C23H30N4O2S/c1-23(2,25-14-6-17-27-18-16-24-19-27)21-11-9-20(10-12-21)13-15-26-30(28,29)22-7-4-3-5-8-22/h3-5,7-12,16,18-19,25-26H,6,13-15,17H2,1-2H3