N-(2-azanyl-2-oxidanylidene-ethyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-(3,4-dimethoxyphenyl)sulfonyl-isonipecotamide Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)N)OC

InChI

InChI=1S/C16H23N3O6S/c1-24-13-4-3-12(9-14(13)25-2)26(22,23)19-7-5-11(6-8-19)16(21)18-10-15(17)20/h3-4,9,11H,5-8,10H2,1-2H3,(H2,17,20)(H,18,21)