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

Systemtic Name: 2-[4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[4-[2-(4-methyl-2-thiazolyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-ium-1-yl]-N-(3-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(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

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

InChI

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