N-(5-methyl-1,2-oxazol-3-yl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-3-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(5-methylisoxazol-3-yl)-3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C21H25N4O4S+ MolecularWeight: 429.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H24N4O4S/c1-16-14-20(23-29-16)22-21(26)8-9-24-10-12-25(13-11-24)30(27,28)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3,(H,22,23,26)/p+1