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

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]piperidine-4-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-N-[2-oxo-2-(3-pyridylmethylamino)ethyl]piperidine-4-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-4-carboxamide Traditional Name: N-[2-keto-2-(3-pyridylmethylamino)ethyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H26N4O5S/c1-30-18-4-6-19(7-5-18)31(28,29)25-11-8-17(9-12-25)21(27)24-15-20(26)23-14-16-3-2-10-22-13-16/h2-7,10,13,17H,8-9,11-12,14-15H2,1H3,(H,23,26)(H,24,27)