3-[(3-ethylsulfonylphenyl)carbonyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-ethylsulfonylphenyl)carbonyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-ethylsulfonylbenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-ethylsulfonylphenyl)-oxomethyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3-ethylsulfonylbenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-esylbenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H30N3O4S2+ MolecularWeight: 476.632

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)C)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)C)OC

InChI

InChI=1S/C23H29N3O4S2/c1-6-32(28,29)18-10-7-9-17(15-18)22(27)26(14-8-13-25(3)4)23-24-20-19(30-5)12-11-16(2)21(20)31-23/h7,9-12,15H,6,8,13-14H2,1-5H3/p+1