2-(azepan-1-ium-1-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanimidate

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanimidate Openeye Name: 2-(azepan-1-ium-1-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanimidate CAS Name: 2-(1-azepan-1-iumyl)-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]ethanimidate IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanimidate Traditional Name: 2-(azepan-1-ium-1-yl)-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)acetimidate Formula: C19H26N4O3S2 MolecularWeight: 422.56474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC(=NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4)[O-]

InChI

InChI=1S/C19H26N4O3S2/c24-18(14-22-9-3-1-2-4-10-22)21-19-20-16-8-7-15(13-17(16)27-19)28(25,26)23-11-5-6-12-23/h7-8,13H,1-6,9-12,14H2,(H,20,21,24)