2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylphenyl)carbonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylbenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(4-methylsulfonylphenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylbenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-mesylbenzoyl)amino]ethyl-diethyl-ammonium Formula: C23H30N3O4S2+ MolecularWeight: 476.632

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OCC)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OCC)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O4S2/c1-5-25(6-2)14-15-26(22(27)17-8-11-19(12-9-17)32(4,28)29)23-24-20-13-10-18(30-7-3)16-21(20)31-23/h8-13,16H,5-7,14-15H2,1-4H3/p+1