3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]ethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazin-1-iumyl]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetyl]anilino)propionamide Formula: C20H28N5O5S+ MolecularWeight: 450.53182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(CCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(CCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H27N5O5S/c1-15-20(16(2)30-22-15)31(28,29)24-12-10-23(11-13-24)14-19(27)25(9-8-18(21)26)17-6-4-3-5-7-17/h3-7H,8-14H2,1-2H3,(H2,21,26)/p+1