3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[3-(phenylsulfonyl)propanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[3-(phenylsulfonyl)propanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[3-(benzenesulfonyl)propanoyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[3-(benzenesulfonyl)-1-oxopropyl]-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[3-(benzenesulfonyl)propanoyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[3-besylpropanoyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H30N3O3S2+ MolecularWeight: 460.6326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)CCS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)CCS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H29N3O3S2/c1-17-15-18(2)22-20(16-17)24-23(30-22)26(13-8-12-25(3)4)21(27)11-14-31(28,29)19-9-6-5-7-10-19/h5-7,9-10,15-16H,8,11-14H2,1-4H3/p+1