4-[[2-ethoxy-4-(1-methylsulfonylpiperidin-4-yl)oxy-cyclohexa-1,3-dien-1-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[2-ethoxy-4-(1-methylsulfonylpiperidin-4-yl)oxy-cyclohexa-1,3-dien-1-yl]amino]benzenecarbonitrile Openeye Name: 4-[[2-ethoxy-4-[(1-methylsulfonyl-4-piperidyl)oxy]cyclohexa-1,3-dien-1-yl]amino]benzonitrile CAS Name: 4-[[2-ethoxy-4-[(1-methylsulfonyl-4-piperidinyl)oxy]-1-cyclohexa-1,3-dienyl]amino]benzonitrile IUPAC Name: 4-[[2-ethoxy-4-(1-methylsulfonylpiperidin-4-yl)oxycyclohexa-1,3-dien-1-yl]amino]benzonitrile Traditional Name: 4-[[2-ethoxy-4-[(1-mesyl-4-piperidyl)oxy]cyclohexa-1,3-dien-1-yl]amino]benzonitrile Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(CCC(=C1)OC2CCN(CC2)S(=O)(=O)C)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=C(CCC(=C1)OC2CCN(CC2)S(=O)(=O)C)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H27N3O4S/c1-3-27-21-14-19(28-18-10-12-24(13-11-18)29(2,25)26)8-9-20(21)23-17-6-4-16(15-22)5-7-17/h4-7,14,18,23H,3,8-13H2,1-2H3