1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C21H25N4O3S2+ MolecularWeight: 445.5782

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N4O3S2/c1-24(15-21-23-18-6-2-3-7-19(18)29-21)14-20(26)22-16-8-10-17(11-9-16)30(27,28)25-12-4-5-13-25/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,26)/p+1