2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methoxyphenyl)sulfonylpropanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methoxyphenyl)sulfonylpropanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methoxyphenyl)sulfonylpropanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methoxyphenyl)sulfonyl-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methoxyphenyl)sulfonylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(5,6-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=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC

InChI

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