(2R)-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[2-(phenylsulfonyl)ethanoyl]-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: (2R)-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[2-(phenylsulfonyl)ethanoyl]-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-4-[2-(benzenesulfonyl)acetyl]-N-[(3S)-2-oxo-3-piperidyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-4-[2-(benzenesulfonyl)-1-oxoethyl]-1-[oxo(4-piperidin-1-iumyl)methyl]-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazinecarboxamide IUPAC Name: (2R)-4-[2-(benzenesulfonyl)acetyl]-N-[(3S)-2-oxopiperidin-3-yl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-4-(2-besylacetyl)-N-[(3S)-2-keto-3-piperidyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Formula: C24H34N5O6S+ MolecularWeight: 520.62166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)C2CN(CCN2C(=O)C3CC[NH2+]CC3)C(=O)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C(=O)NC1)NC(=O)[C@H]2CN(CCN2C(=O)C3CC[NH2+]CC3)C(=O)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H33N5O6S/c30-21(16-36(34,35)18-5-2-1-3-6-18)28-13-14-29(24(33)17-8-11-25-12-9-17)20(15-28)23(32)27-19-7-4-10-26-22(19)31/h1-3,5-6,17,19-20,25H,4,7-16H2,(H,26,31)(H,27,32)/p+1/t19-,20+/m0/s1