(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Systemtic Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-isopropylpyrazol-3-yl)propanamide CAS Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-isopropylpyrazol-3-yl)propionamide Formula: C21H32N5O3S+ MolecularWeight: 434.57548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=NN3C(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3=CC=NN3C(C)C)C

InChI

InChI=1S/C21H31N5O3S/c1-15(2)26-20(8-9-22-26)23-21(27)18(5)24-10-12-25(13-11-24)30(28,29)19-7-6-16(3)14-17(19)4/h6-9,14-15,18H,10-13H2,1-5H3,(H,23,27)/p+1/t18-/m0/s1