2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-1-iumyl]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C21H30N5O4S+ MolecularWeight: 448.559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=NO1)CN2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H29N5O4S/c1-17-13-19(23-30-17)15-24-9-11-25(12-10-24)16-21(27)22-18-5-4-6-20(14-18)31(28,29)26-7-2-3-8-26/h4-6,13-14H,2-3,7-12,15-16H2,1H3,(H,22,27)/p+1