(2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentyl-propanamide

Systemtic Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentyl-propanamide Openeye Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentyl-propanamide CAS Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclopentylpropanamide IUPAC Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylpropanamide Traditional Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentyl-propionamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H35N3O3S/c1-17(21(26)23-19-7-5-6-8-19)24-13-15-25(16-14-24)29(27,28)20-11-9-18(10-12-20)22(2,3)4/h9-12,17,19H,5-8,13-16H2,1-4H3,(H,23,26)/p+1/t17-/m1/s1