2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-[3-(4-methylphenyl)sulfonylpropanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-[3-(4-methylphenyl)sulfonylpropanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[3-(p-tolylsulfonyl)propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[3-(4-methylphenyl)sulfonylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(3-tosylpropanoyl)amino]ethyl-dimethyl-ammonium Formula: C22H27ClN3O4S2+ MolecularWeight: 497.05048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

InChI

InChI=1S/C22H26ClN3O4S2/c1-15-5-7-16(8-6-15)32(28,29)14-11-19(27)26(13-12-25(2)3)22-24-20-18(30-4)10-9-17(23)21(20)31-22/h5-10H,11-14H2,1-4H3/p+1