2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(2-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(2-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazin-1-iumyl]-N-[2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(2-pyrrolidinophenyl)acetamide Formula: C21H30N5O4S+ MolecularWeight: 448.559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3N4CCCC4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C21H29N5O4S/c1-16-21(17(2)30-23-16)31(28,29)26-13-11-24(12-14-26)15-20(27)22-18-7-3-4-8-19(18)25-9-5-6-10-25/h3-4,7-8H,5-6,9-15H2,1-2H3,(H,22,27)/p+1