1-[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-1-methyl-2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-oxo-1-[4-(1-piperidinylsulfonyl)anilino]propan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(4-piperidinosulfonylanilino)ethyl]piperidin-1-ium-4-carboxamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H30N4O4S/c1-15(23-13-9-16(10-14-23)19(21)25)20(26)22-17-5-7-18(8-6-17)29(27,28)24-11-3-2-4-12-24/h5-8,15-16H,2-4,9-14H2,1H3,(H2,21,25)(H,22,26)/p+1/t15-/m0/s1