2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C24H29N4O3S2+ MolecularWeight: 485.64206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C24H28N4O3S2/c29-23(25-18-8-7-9-19(16-18)33(30,31)28-14-5-6-15-28)17-27-13-4-3-11-21(27)24-26-20-10-1-2-12-22(20)32-24/h1-2,7-10,12,16,21H,3-6,11,13-15,17H2,(H,25,29)/p+1/t21-/m1/s1