(2R)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide

Systemtic Name: (2R)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2R)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propionamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3CC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3CC3)C)C(C)(C)C

InChI

InChI=1S/C22H35N3O3S/c1-15-13-18(22(4,5)6)14-16(2)20(15)29(27,28)25-11-9-24(10-12-25)17(3)21(26)23-19-7-8-19/h13-14,17,19H,7-12H2,1-6H3,(H,23,26)/p+1/t17-/m1/s1