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

Systemtic Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methoxyphenyl)sulfonylpropanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methoxyphenyl)sulfonylpropanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methoxyphenyl)sulfonyl-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methoxyphenyl)sulfonylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methoxyphenyl)sulfonylpropanoyl]amino]ethyl-dimethyl-ammonium Formula: C23H30N3O4S2+ MolecularWeight: 476.632

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H29N3O4S2/c1-16-6-7-17(2)22-21(16)24-23(31-22)26(14-13-25(3)4)20(27)12-15-32(28,29)19-10-8-18(30-5)9-11-19/h6-11H,12-15H2,1-5H3/p+1