2-ethylaniline; (4E)-4-[[(2-ethylphenyl)amino]methylidene]-5-methyl-2-(4-morpholin-4-ylsulfonylphenyl)pyrazol-3-one

Systemtic Name: 2-ethylaniline; (4E)-4-[[(2-ethylphenyl)amino]methylidene]-5-methyl-2-(4-morpholin-4-ylsulfonylphenyl)pyrazol-3-one Openeye Name: 2-ethylaniline; (4E)-4-[(2-ethylanilino)methylene]-5-methyl-2-(4-morpholinosulfonylphenyl)pyrazol-3-one CAS Name: 2-ethylaniline; (4E)-4-[(2-ethylanilino)methylidene]-5-methyl-2-[4-(4-morpholinylsulfonyl)phenyl]-3-pyrazolone IUPAC Name: 2-ethylaniline; (4E)-4-[(2-ethylanilino)methylidene]-5-methyl-2-(4-morpholin-4-ylsulfonylphenyl)pyrazol-3-one Traditional Name: (4E)-4-[(2-ethylanilino)methylene]-5-methyl-2-(4-morpholinosulfonylphenyl)-2-pyrazolin-3-one; (2-ethylphenyl)amine Formula: C31H37N5O4S MolecularWeight: 575.72158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N.CCC1=CC=CC=C1NC=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CCC1=CC=CC=C1N.CCC1=CC=CC=C1N/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C23H26N4O4S.C8H11N/c1-3-18-6-4-5-7-22(18)24-16-21-17(2)25-27(23(21)28)19-8-10-20(11-9-19)32(29,30)26-12-14-31-15-13-26;1-2-7-5-3-4-6-8(7)9/h4-11,16,24H,3,12-15H2,1-2H3;3-6H,2,9H2,1H3/b21-16+;