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

Systemtic Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propionamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H31N3O3S/c1-15(19(24)21-17-7-8-17)22-11-13-23(14-12-22)27(25,26)18-9-5-16(6-10-18)20(2,3)4/h5-6,9-10,15,17H,7-8,11-14H2,1-4H3,(H,21,24)/p+1/t15-/m1/s1