1-methyl-4-[4-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[1-oxo-2-(2-oxo-1,3-benzoxazol-3-yl)propyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-[2-(2-keto-1,3-benzoxazol-3-yl)propanoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C20H23N5O6S MolecularWeight: 461.49152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C)N3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C)N3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H23N5O6S/c1-13(25-15-5-3-4-6-17(15)31-20(25)28)19(27)23-7-9-24(10-8-23)32(29,30)14-11-16(18(21)26)22(2)12-14/h3-6,11-13H,7-10H2,1-2H3,(H2,21,26)