N-(3-ethanoylphenyl)-1-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(3-ethanoylphenyl)-1-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide Openeye Name: N-(3-acetylphenyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide CAS Name: N-(3-acetylphenyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide Traditional Name: N-(3-acetylphenyl)-1-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonyl]isonipecotamide Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

InChI

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