2-[4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[4-[2-(4-methyl-2-thiazolyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-ium-1-yl]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C22H30N5O4S2+ MolecularWeight: 492.6347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CSC(=N1)CC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H29N5O4S2/c1-17-16-32-21(23-17)14-22(29)26-12-10-25(11-13-26)15-20(28)24-18-4-6-19(7-5-18)33(30,31)27-8-2-3-9-27/h4-7,16H,2-3,8-15H2,1H3,(H,24,28)/p+1