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

Systemtic Name: 4-[[2-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-cyclohexa-1,3-dien-1-yl]amino]benzenecarbonitrile Openeye Name: 4-[[2-ethyl-4-[(1-methylsulfonyl-4-piperidyl)oxy]cyclohexa-1,3-dien-1-yl]amino]benzonitrile CAS Name: 4-[[2-ethyl-4-[(1-methylsulfonyl-4-piperidinyl)oxy]-1-cyclohexa-1,3-dienyl]amino]benzonitrile IUPAC Name: 4-[[2-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxycyclohexa-1,3-dien-1-yl]amino]benzonitrile Traditional Name: 4-[[2-ethyl-4-[(1-mesyl-4-piperidyl)oxy]cyclohexa-1,3-dien-1-yl]amino]benzonitrile Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CCC(=C1)OC2CCN(CC2)S(=O)(=O)C)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=C(CCC(=C1)OC2CCN(CC2)S(=O)(=O)C)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H27N3O3S/c1-3-17-14-20(27-19-10-12-24(13-11-19)28(2,25)26)8-9-21(17)23-18-6-4-16(15-22)5-7-18/h4-7,14,19,23H,3,8-13H2,1-2H3