2-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-[3-(phenylsulfonyl)propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-[3-(phenylsulfonyl)propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[3-(benzenesulfonyl)propanoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[3-(benzenesulfonyl)propanoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[3-besylpropanoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H28N3O4S2+ MolecularWeight: 462.60542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c1-16-10-11-18(29-4)20-21(16)30-22(23-20)25(14-13-24(2)3)19(26)12-15-31(27,28)17-8-6-5-7-9-17/h5-11H,12-15H2,1-4H3/p+1