3-(diethylamino)-6-[[(3-pyrrolidin-1-ylsulfonylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 3-(diethylamino)-6-[[(3-pyrrolidin-1-ylsulfonylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 3-(diethylamino)-6-[(3-pyrrolidin-1-ylsulfonylanilino)methylene]cyclohexa-2,4-dien-1-one CAS Name: 3-(diethylamino)-6-[[3-(1-pyrrolidinylsulfonyl)anilino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 3-(diethylamino)-6-[(3-pyrrolidin-1-ylsulfonylanilino)methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 3-(diethylamino)-6-[(3-pyrrolidinosulfonylanilino)methylene]cyclohexa-2,4-dien-1-one Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=O)C(=CNC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C=C1

Isomeric SMILES

CCN(CC)C1=CC(=O)C(=CNC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C=C1

InChI

InChI=1S/C21H27N3O3S/c1-3-23(4-2)19-11-10-17(21(25)15-19)16-22-18-8-7-9-20(14-18)28(26,27)24-12-5-6-13-24/h7-11,14-16,22H,3-6,12-13H2,1-2H3