2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylphenyl)carbonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylbenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(4-methylsulfonylphenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylbenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(4-mesylbenzoyl)amino]ethyl-diethyl-ammonium Formula: C22H27ClN3O4S2+ MolecularWeight: 497.05048

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H26ClN3O4S2/c1-5-25(6-2)13-14-26(21(27)15-7-9-16(10-8-15)32(4,28)29)22-24-19-18(30-3)12-11-17(23)20(19)31-22/h7-12H,5-6,13-14H2,1-4H3/p+1