1-[(2S)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C19H28N4O4S/c1-15(21-9-7-16(8-10-21)18(20)24)19(25)22-11-13-23(14-12-22)28(26,27)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3,(H2,20,24)/p+1/t15-/m0/s1