3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[3-(phenylsulfonyl)propanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[3-(phenylsulfonyl)propanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[3-(benzenesulfonyl)propanoyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[3-(benzenesulfonyl)-1-oxopropyl]-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[3-(benzenesulfonyl)propanoyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[3-besylpropanoyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H30N3O5S2+ MolecularWeight: 492.6314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O5S2/c1-25(2)14-8-15-26(20(27)13-16-33(28,29)17-9-6-5-7-10-17)23-24-21-18(30-3)11-12-19(31-4)22(21)32-23/h5-7,9-12H,8,13-16H2,1-4H3/p+1