N-[4-[(4E)-5-oxidanylidene-4-[(1-prop-2-enylpyrrol-2-yl)methylidene]-1,2-oxazol-3-yl]phenyl]butane-1-sulfonamide

Systemtic Name: N-[4-[(4E)-5-oxidanylidene-4-[(1-prop-2-enylpyrrol-2-yl)methylidene]-1,2-oxazol-3-yl]phenyl]butane-1-sulfonamide Openeye Name: N-[4-[(4E)-4-[(1-allylpyrrol-2-yl)methylene]-5-oxo-isoxazol-3-yl]phenyl]butane-1-sulfonamide CAS Name: N-[4-[(4E)-5-oxo-4-[(1-prop-2-enyl-2-pyrrolyl)methylidene]-3-isoxazolyl]phenyl]-1-butanesulfonamide IUPAC Name: N-[4-[(4E)-5-oxo-4-[(1-prop-2-enylpyrrol-2-yl)methylidene]-1,2-oxazol-3-yl]phenyl]butane-1-sulfonamide Traditional Name: N-[4-[(4E)-4-[(1-allylpyrrol-2-yl)methylene]-5-keto-2-isoxazolin-3-yl]phenyl]butane-1-sulfonamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC=C(C=C1)C2=NOC(=O)C2=CC3=CC=CN3CC=C

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC=C(C=C1)C\2=NOC(=O)/C2=C/C3=CC=CN3CC=C

InChI

InChI=1S/C21H23N3O4S/c1-3-5-14-29(26,27)23-17-10-8-16(9-11-17)20-19(21(25)28-22-20)15-18-7-6-13-24(18)12-4-2/h4,6-11,13,15,23H,2-3,5,12,14H2,1H3/b19-15+