1-(4-methoxyphenyl)sulfonyl-N-[(2S)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-[(2S)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-N-[(1S)-1-methyl-2-oxo-2-(3-pyridylmethylamino)ethyl]piperidine-4-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-[(2S)-1-oxo-1-(3-pyridinylmethylamino)propan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(3-pyridylmethylamino)ethyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CN=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H](C(=O)NCC1=CN=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N4O5S/c1-16(21(27)24-15-17-4-3-11-23-14-17)25-22(28)18-9-12-26(13-10-18)32(29,30)20-7-5-19(31-2)6-8-20/h3-8,11,14,16,18H,9-10,12-13,15H2,1-2H3,(H,24,27)(H,25,28)/t16-/m0/s1