(3S)-N'-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonyl-1-pyrimidin-2-yl-piperidine-3-carbohydrazide

Systemtic Name: (3S)-N'-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonyl-1-pyrimidin-2-yl-piperidine-3-carbohydrazide Openeye Name: (3S)-N'-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]-1-pyrimidin-2-yl-piperidine-3-carbohydrazide CAS Name: (3S)-N'-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-oxomethyl]-1-(2-pyrimidinyl)-3-piperidinecarbohydrazide IUPAC Name: (3S)-N'-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]-1-pyrimidin-2-ylpiperidine-3-carbohydrazide Traditional Name: (3S)-N'-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]-1-(2-pyrimidyl)nipecotohydrazide Formula: C22H30N7O4S+ MolecularWeight: 488.5831

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)[C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C22H29N7O4S/c1-27-12-14-29(15-13-27)34(32,33)19-7-5-17(6-8-19)20(30)25-26-21(31)18-4-2-11-28(16-18)22-23-9-3-10-24-22/h3,5-10,18H,2,4,11-16H2,1H3,(H,25,30)(H,26,31)/p+1/t18-/m0/s1