dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-methylsulfonylphenyl)carbonyl-amino]propyl]azanium

Systemtic Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-methylsulfonylphenyl)carbonyl-amino]propyl]azanium Openeye Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-methylsulfonylbenzoyl)amino]propyl]ammonium CAS Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-[(3-methylsulfonylphenyl)-oxomethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-methylsulfonylbenzoyl)amino]propyl]azanium Traditional Name: 3-[(3-mesylbenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H26N3O3S2+ MolecularWeight: 432.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O3S2/c1-15-9-10-18-19(13-15)28-21(22-18)24(12-6-11-23(2)3)20(25)16-7-5-8-17(14-16)29(4,26)27/h5,7-10,13-14H,6,11-12H2,1-4H3/p+1