(2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C22H28N5O4S2+ MolecularWeight: 490.61882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H27N5O4S2/c1-16-20(22(29)27(24(16)3)18-8-5-4-6-9-18)23-21(28)17(2)25-11-13-26(14-12-25)33(30,31)19-10-7-15-32-19/h4-10,15,17H,11-14H2,1-3H3,(H,23,28)/p+1/t17-/m0/s1