dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-methylsulfonylphenyl)carbonyl-amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-methylsulfonylphenyl)carbonyl-amino]ethyl]azanium Openeye Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-methylsulfonylbenzoyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[(2-methylsulfonylphenyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-methylsulfonylbenzoyl)amino]ethyl]azanium Traditional Name: 2-[(2-mesylbenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H24N3O3S2+ MolecularWeight: 418.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H23N3O3S2/c1-14-8-7-10-16-18(14)21-20(27-16)23(13-12-22(2)3)19(24)15-9-5-6-11-17(15)28(4,25)26/h5-11H,12-13H2,1-4H3/p+1