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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC[NH+](C)C)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC[NH+](C)C)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC

InChI

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