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

Systemtic Name: 4-[[2-ethoxy-4-(1-methylsulfonylpiperidin-4-yl)oxy-cyclohexa-1,3-dien-1-yl]amino]benzenecarboximidamide Openeye Name: 4-[[2-ethoxy-4-[(1-methylsulfonyl-4-piperidyl)oxy]cyclohexa-1,3-dien-1-yl]amino]benzamidine CAS Name: 4-[[2-ethoxy-4-[(1-methylsulfonyl-4-piperidinyl)oxy]-1-cyclohexa-1,3-dienyl]amino]benzenecarboximidamide IUPAC Name: 4-[[2-ethoxy-4-(1-methylsulfonylpiperidin-4-yl)oxycyclohexa-1,3-dien-1-yl]amino]benzenecarboximidamide Traditional Name: 4-[[2-ethoxy-4-[(1-mesyl-4-piperidyl)oxy]cyclohexa-1,3-dien-1-yl]amino]benzamidine Formula: C21H30N4O4S MolecularWeight: 434.5523

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4S/c1-3-28-20-14-18(29-17-10-12-25(13-11-17)30(2,26)27)8-9-19(20)24-16-6-4-15(5-7-16)21(22)23/h4-7,14,17,24H,3,8-13H2,1-2H3,(H3,22,23)