N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-isopropylisoxazol-5-yl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-propan-2-yl-5-isoxazolyl)-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-isopropylisoxazol-5-yl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H31N4O4S+ MolecularWeight: 435.56024

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=NO3)C(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=NO3)C(C)C

InChI

InChI=1S/C21H30N4O4S/c1-4-5-17-6-8-18(9-7-17)30(27,28)25-12-10-24(11-13-25)15-20(26)22-21-14-19(16(2)3)23-29-21/h6-9,14,16H,4-5,10-13,15H2,1-3H3,(H,22,26)/p+1