2-[(4-methoxy-1,3-benzothiazol-2-yl)-[3-(phenylsulfonyl)propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-[3-(phenylsulfonyl)propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[3-(benzenesulfonyl)propanoyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[3-(benzenesulfonyl)propanoyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[3-besylpropanoyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H26N3O4S2+ MolecularWeight: 448.57884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S2/c1-23(2)13-14-24(21-22-20-17(28-3)10-7-11-18(20)29-21)19(25)12-15-30(26,27)16-8-5-4-6-9-16/h4-11H,12-15H2,1-3H3/p+1