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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=NC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=NC=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N4O5S/c1-16(21(27)24-14-17-9-11-23-12-10-17)25-22(28)18-4-3-13-26(15-18)32(29,30)20-7-5-19(31-2)6-8-20/h5-12,16,18H,3-4,13-15H2,1-2H3,(H,24,27)(H,25,28)/t16-,18-/m0/s1