1-(4-methoxyphenyl)sulfonyl-N-[(2S)-1-(2-morpholin-4-ium-4-ylethylamino)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-[(2S)-1-(2-morpholin-4-ium-4-ylethylamino)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-N-[(1S)-1-methyl-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-[(2S)-1-[2-(4-morpholin-4-iumyl)ethylamino]-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-[(2S)-1-(2-morpholin-4-ium-4-ylethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(2-morpholin-4-ium-4-ylethylamino)ethyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C22H35N4O6S+ MolecularWeight: 483.6015

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC[NH+]1CCOCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H](C(=O)NCC[NH+]1CCOCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H34N4O6S/c1-17(21(27)23-9-12-25-13-15-32-16-14-25)24-22(28)18-7-10-26(11-8-18)33(29,30)20-5-3-19(31-2)4-6-20/h3-6,17-18H,7-16H2,1-2H3,(H,23,27)(H,24,28)/p+1/t17-/m0/s1