N-(3-ethanoylphenyl)-1-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

Systemtic Name: N-(3-ethanoylphenyl)-1-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide Openeye Name: N-(3-acetylphenyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide CAS Name: N-(3-acetylphenyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide Traditional Name: N-(3-acetylphenyl)-1-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonyl]nipecotamide Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

InChI

InChI=1S/C21H21N3O6S/c1-13(25)14-4-2-6-16(10-14)22-20(26)15-5-3-9-24(12-15)31(28,29)17-7-8-18-19(11-17)30-21(27)23-18/h2,4,6-8,10-11,15H,3,5,9,12H2,1H3,(H,22,26)(H,23,27)