2-ethoxy-6-[[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 2-ethoxy-6-[[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 2-ethoxy-6-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-ethoxy-6-[[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-ethoxy-6-[(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2-ethoxy-6-[(4-ethoxy-3-pyrrolidinosulfonyl-anilino)methylene]cyclohexa-2,4-dien-1-one Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC=C2C=CC=C(C2=O)OCC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC=C2C=CC=C(C2=O)OCC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N2O5S/c1-3-27-18-11-10-17(14-20(18)29(25,26)23-12-5-6-13-23)22-15-16-8-7-9-19(21(16)24)28-4-2/h7-11,14-15,22H,3-6,12-13H2,1-2H3