(6E)-6-[[(4-piperidin-1-ylsulfonylphenyl)amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[[(4-piperidin-1-ylsulfonylphenyl)amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[4-(1-piperidylsulfonyl)anilino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[4-(1-piperidinylsulfonyl)anilino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[(4-piperidin-1-ylsulfonylanilino)methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[(4-piperidinosulfonylanilino)methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C=C1

Isomeric SMILES

CCCOC1=CC(=O)/C(=C/NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)/C=C1

InChI

InChI=1S/C21H26N2O4S/c1-2-14-27-19-9-6-17(21(24)15-19)16-22-18-7-10-20(11-8-18)28(25,26)23-12-4-3-5-13-23/h6-11,15-16,22H,2-5,12-14H2,1H3/b17-16+