N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)-N-(2-methoxy-5-piperidinosulfonyl-phenyl)propionamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H25N3O6S/c1-30-19-10-9-16(32(28,29)24-12-5-2-6-13-24)15-17(19)23-21(26)11-14-25-18-7-3-4-8-20(18)31-22(25)27/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,26)